UCSF

ZINC00896666

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 10 Yes

Popular Name: Tranylcypromine Sulfate Tranylcypromine Sulfate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13492-01-8 , 13492-01-8, 155-09-9 [tra , 13492-01-8, 7081-36-9 [replaced], 155-09-9 [tranylcypromine] , 155-09-9 , 4548-34-9 , 54-97-7 , 61-81-4

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.43 4.08 -38.82 3 1 1 28 134.202 1 ↓
Hi High (pH 8-9.5) 1.43 3.78 -2.1 2 1 0 26 133.194 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 155 - 157 Enamine Building Blocks
MP 155...157 Enamine Building Blocks
MP 156 - 158 Enamine Building Blocks
MP 162 - 169 Enamine Building Blocks
MP 162...169 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Therapy antidepressant SMDC MicroSource
therap antidepressant, MAO inhibitor MicroSource Spectrum

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFB-1-E Monoamine Oxidase B (cluster #1 Of 8), Eukaryotic Eukaryotes 33 1.05 Binding ≤ 10μM
5HT2C-1-E 5-hydroxytryptamine Receptor 2C (cluster #1 Of 2), Eukaryotic Eukaryotes 2697 0.78 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 33 1.05 Binding ≤ 1μM
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 33 1.05 Binding ≤ 10μM
5HT2C_HUMAN P28335 Serotonin 2c (5-HT2c) Receptor, Human 2697 0.78 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2
Serotonin receptors

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