Small Molecules

Retinoic acid

• Alternative Names : Tretinoin, ATRA
• Appearance : Yellow solid
• Function : Retinoid RAR ag
• Inchi : InChI=1S/C20H28
• Inchikey : SHGAZHPCJJPHSC-

TEMPO

• Alternative Names : 2,2,6,6-Tetrame
• Appearance : White Solid
• Function : Stabilized free
• Inchi : InChI=1S/C9H18N
• Inchikey : QYTDEUPAUMOIOP-

Phenylbutyrate Na

• Alternative Names : Sodium 4-phenyl
• Appearance : White solid
• Function : HDAC inhibitor
• Inchi : InChI=1S/C10H12
• Inchikey : VPZRWNZGLKXFOE-

Difluoromethylornithine

• Alternative Names : N2-(Difluoromet
• Appearance : White Solid
• Function : ODC Inhibitor
• Inchi : InChI=1S/C6H12F
• Inchikey : LDLGBNXSBZFATB-

Pinacidil Monohydrate

• Alternative Names : (±)-N-Cyano-N′-
• Appearance : White powder
• Function : K+ channel acti
• Inchi : InChI=1S/C13H19
• Inchikey : AFJCNBBHEVLGCZ-

Sodium Valproate

• Alternative Names : 2-Propylpentano
• Appearance : White Solid
• Function : HDAC inhibitor
• Inchi : InChI=1S/C8H16O
• Inchikey : AEQFSUDEHCCHBT-

Chloroquine diphosphate

• Alternative Names : N4-(7-Chloro-4-
• Appearance : Beige Solid
• Function : Autophagy inhib
• Inchi : InChI=1S/C18H26
• Inchikey : QKICWELGRMTQCR-

Anisomycin

• Alternative Names : (2S,3R,4R)-4-Hy
• Appearance : White solid
• Function : p38 MAP kinase
• Inchi : InChI=1S/C14H19
• Inchikey : YKJYKKNCCRKFSL-

DMPO

• Alternative Names : 2,2-Dimethyl-3,
• Appearance : Liquid
• Function : Spin trapping r
• Inchi : InChI=1S/C6H11N
• Inchikey : VCUVETGKTILCLC-

Verapamil HCl

• Alternative Names : 2-(3,4-Dimethox
• Appearance : White Solid
• Function : L-type Ca chann
• Inchi : InChI=1S/C27H38
• Inchikey : DOQPXTMNIUCOSY-

2-APB

• Alternative Names : 2-Aminoethoxydi
• Appearance : White solid
• Function : TRP blocker
• Inchi : InChI=1S/C14H16
• Inchikey : BLZVCIGGICSWIG-

Genistein

• Alternative Names : 4',5,7-Trihydro
• Appearance : Creamy off-whit
• Function : Tyrosine kinase
• Inchi : InChI=1S/C15H10
• Inchikey : TZBJGXHYKVUXJN-

Andrographolide

• Alternative Names : (3E)-4-Hydroxy-
• Appearance : Off-white Solid
• Function : Apoptosis Induc
• Inchi : InChI=1S/C20H30
• Inchikey : BOJKULTULYSRAS-

MG-132

• Alternative Names : N-[(Benzyloxy)c
• Appearance : White solid
• Function : Proteasome Inhi
• Inchi : InChI=1S/C26H41
• Inchikey : TZYWCYJVHRLUCT-

Galanthamine HBr

• Alternative Names : Galantamine hyd
• Appearance : White powder
• Function : Acetylcholinest
• Inchi : 1S/C17H21NO3.Br
• Inchikey : QORVDGQLPPAFRS-

5-Azacytidine

• Alternative Names : 4-Amino-1-β-D-r
• Appearance : White Solid
• Function : DNA hypomethyla
• Inchi : InChI=1S/C8H12N
• Inchikey : NMUSYJAQQFHJEW-

Camptothecin

• Alternative Names : (4S)-4-Ethyl-4-
• Appearance : Yellow solid
• Function : Topoisomerase I
• Inchi : InChI=1S/C20H16
• Inchikey : VSJKWCGYPAHWDS-

Apigenin

• Alternative Names : 5,7-Dihydroxy-2
• Appearance : White Solid
• Function : Protein kinase
• Inchi : InChI=1S/C15H10
• Inchikey : KZNIFHPLKGYRTM-

Puromycin HCl

• Alternative Names : 3'-Deoxy-N,N-di
• Appearance : Off-white powde
• Function : Translation inh
• Inchi : InChI=1S/C22H29
• Inchikey : RXWNCPJZOCPEPQ-

Metformin Hydrochloride

• Alternative Names : N,N-Dimethylimi
• Appearance : White crystalli
• Function : Autophagy induc
• Inchi : InChI=1S/C4H11N
• Inchikey : OETHQSJEHLVLGH-

Niclosamide

• Alternative Names : 5-Chloro-N-(2-c
• Appearance : Pale yellow sol
• Function : Autophagy induc
• Inchi : InChI=1S/C13H8C
• Inchikey : RJMUSRYZPJIFPJ-

Ebselen

• Alternative Names : 2-Phenyl-1,2-be
• Appearance : Off-white Solid
• Function : Protein Kinase
• Inchi : InChI=1S/C13H9N
• Inchikey : DYEFUKCXAQOFHX-

bis-BHT

• Alternative Names : 4,4'-Methyleneb
• Appearance : White Solid
• Function : Phenolic antiox
• Inchi : InChI=1S/C29H44
• Inchikey : MDWVSAYEQPLWMX-

Pifithrin mu

• Alternative Names : 2-Phenylethynes
• Appearance : White to off-wh
• Function : Hsp70 Inhibitor
• Inchi : InChI=1S/C8H7NO
• Inchikey : ZZUZYEMRHCMVTB-

Nifedipine

• Alternative Names : Dimethyl 2,6-di
• Appearance : Yellow solid
• Function : L-type Ca chann
• Inchi : InChI=1S/C17H18
• Inchikey : HYIMSNHJOBLJNT-

Nonactin

• Alternative Names : (1R,2R,5R,7R,10
• Appearance : White to off-Wh
• Function : Ammonium ionoph
• Inchi : InChI=1S/C40H64
• Inchikey : RMIXHJPMNBXMBU-

Valinomycin

• Alternative Names : (3R,6R,9S,12S,1
• Appearance : White Solid
• Function : Apoptosis Induc
• Inchi : InChI=1S/C54H90
• Inchikey : FCFNRCROJUBPLU-

Leflunomide

• Alternative Names : 5-methyl-N-[4-(
• Appearance : White crystalli
• Function : Immunosupressan
• Inchi : InChI=1S/C12H9F
• Inchikey : VHOGYURTWQBHIL-

Lovastatin

• Alternative Names : (1S,3R,7S,8S,8a
• Appearance : White solid
• Function : HMG-CoA reducta
• Inchi : InChI=1S/C24H36
• Inchikey : PCZOHLXUXFIOCF-

5-Ethynyl-2’-deoxyuridine

FTY720 Hydrochloride

• Alternative Names : 2-Amino-2-[2-(4
• Appearance : White solid
• Function : S1P receptor li
• Inchi : InChI=1S/C19H33
• Inchikey : SWZTYAVBMYWFGS-

Vildagliptin

• Alternative Names : (S)-1-[N-(3-hyd
• Appearance : White powder
• Function : Anti-diabetic a
• Inchi : InChI=1S/C17H25
• Inchikey : SYOKIDBDQMKNDQ-

Biotinyl Tyramide

• Alternative Names : (3aS,4S,6aR)-He
• Appearance : White powder
• Function : Signal Amplifie
• Inchi : InChI=1S/C18H25
• Inchikey : VZWXNOBHWODXCW-

PK-11195

• Alternative Names : N-sec-Butyl-1-(
• Appearance : White Crystals
• Function : Mitochondrial B
• Inchi : InChI=1S/C21H21
• Inchikey : RAVIZVQZGXBOQO-

Bortezomib

• Alternative Names : B-[(1R)-3-Methy
• Appearance : White Powder
• Function : Proteasome Inhi
• Inchi : InChI=1S/C19H25
• Inchikey : GXJABQQUPOEUTA-

Itraconazole

• Alternative Names : Itraconazole, 8
• Appearance : White Powder
• Function : Cytochrome P450
• Inchi : 1S/C35H38Cl2N8O
• Inchikey : VHVPQPYKVGDNFY-

Erlotinib Hydrochloride

• Alternative Names : N-(3-ethynylphe
• Appearance : Solid powder
• Function : EGFR Kinase inh
• Inchi : InChI=1S/C22H23
• Inchikey : GTTBEUCJPZQMDZ-

Clozapine

• Alternative Names : 3-chloro-6-(4-m
• Appearance : Yellow powder
• Function : Dopamine recept
• Inchi : 1S/C18H19ClN4/c
• Inchikey : ZUXABONWMNSFBN-

Baicalein

Nicardipine HCl

• Alternative Names : 2-[Benzyl(methy
• Appearance : Yellow solid
• Function : L-type Ca chann
• Inchi : InChI=1S/C26H29
• Inchikey : AIKVCUNQWYTVTO-

Resveratrol

• Alternative Names : 5-[(E)-2-(4-Hyd
• Appearance : Off-White Solid
• Function : Antioxidant
• Inchi : InChI=1S/C14H12
• Inchikey : LUKBXSAWLPMMSZ-

Zerumbone

• Alternative Names : (2E,6E,10E)-2,6
• Appearance : White to off-wh
• Function : NF-κB kinase in
• Inchi : InChI=1S/C15H22
• Inchikey : GIHNTRQPEMKFKO-

Garcinol

• Alternative Names : Camboginol, 3-​
• Appearance : Yellow solid
• Function : HAT inhibitor
• Inchi : InChI=1S/C38H50
• Inchikey : DTTONLKLWRTCAB-

Tranilast

• Alternative Names : 2-{[(2E)-3-(3,4
• Appearance : Off-white to ye
• Function : Angiogenesis in
• Inchi : InChI=1S/C18H17
• Inchikey : NZHGWWWHIYHZNX-

Entacapone

Ferrostatin-1

• Alternative Names : Ethyl 3-amino-4
• Appearance : Tan powder
• Function : Ferroptosis Inh
• Inchi : InChI=1S/C18H17
• Inchikey : NZHGWWWHIYHZNX-

Carnosic acid

• Alternative Names : (4aR,10aS)-5,6-
• Appearance : Off white to ye
• Function : PPARγ activator
• Inchi : InChI=1S/C20H28
• Inchikey : QRYRORQUOLYVBU-

Brefeldin A

• Alternative Names : Cyanaein
• Appearance : White Crystalli
• Function : GEF inhibitor
• Inchi : InChI=1S/C16H24
• Inchikey : KQNZDYYTLMIZCT-

Cantharidin

• Alternative Names : 3a,7a-Dimethylh
• Appearance : White to off-wh
• Function : Phosphatase PP2
• Inchi : InChI=1S/C10H12
• Inchikey : DHZBEENLJMYSHQ-

Rosiglitazone Maleate

• Alternative Names : 5-[[4-[2-(Methy
• Appearance : White to off-wh
• Function : Insulin sensiti
• Inchi : InChI=1S/C18H19
• Inchikey : YASAKCUCGLMORW-