UCSF

ZINC01542229

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 13 Yes

Popular Name: Lazabemide hydrochloride Lazabemide hydrochloride

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CAS Numbers: 103878-83-7 , 103878-84-8

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) -0.39 -0.23 -47.82 4 4 1 70 200.649 3 ↓
Hi High (pH 8-9.5) -0.39 -0.61 -5.96 3 4 0 68 199.641 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFB-2-E Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic Eukaryotes 84 0.76 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 84 0.76 Binding ≤ 1μM
AOFB_RAT P19643 Monoamine Oxidase B, Rat 22 0.82 Binding ≤ 1μM
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 84 0.76 Binding ≤ 10μM
AOFB_RAT P19643 Monoamine Oxidase B, Rat 22 0.82 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2

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

No pre-computed analogs available. Try a structural similarity search.