UCSF

ZINC04204789

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 12 Yes

Popular Name: N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine N-methyl-1,2,3,4-tetrahydronapht…

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CAS Numbers: 10409-15-1 , 49681-43-8 , 64037-95-2

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) 1.56 6.08 -36.9 2 1 1 17 162.256 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 158 - 160 Enamine Building Blocks
MP 158...160 Enamine Building Blocks
MP 73 - 75 Enamine Building Blocks
MP 73...75 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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 1400 0.68 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFB_BOVIN P56560 Monoamine Oxidase B, Bovin 1400 0.68 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% )