UCSF

ZINC01088043

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 15 Yes

Popular Name: 4-AMINOSTILBENE 4-AMINOSTILBENE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4309-66-4 , 834-24-2

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 0.1 -4.38 2 1 0 26 195.265 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 151 TCI
MP 151-153° Oakwood Chemical
MP 151° Oakwood Chemical
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFA-1-E Monoamine Oxidase A (cluster #1 Of 8), Eukaryotic Eukaryotes 6670 0.48 Binding ≤ 10μM
AOFB-1-E Monoamine Oxidase B (cluster #1 Of 8), Eukaryotic Eukaryotes 6340 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFA_HUMAN P21397 Monoamine Oxidase A, Human 6670 0.48 Binding ≤ 10μM
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 2730 0.52 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Enzymatic degradation of dopamine by COMT
Enzymatic degradation of Dopamine by monoamine oxidase
Metabolism of serotonin
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2
Norepinephrine Neurotransmitter Release Cycle

Analogs ( Draw Identity 99% 90% 80% 70% )