UCSF

ZINC16505435

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 27 No

Popular Name: 4-anilino-N-(3-methoxyphenyl)-3-nitro-benzamide 4-anilino-N-(3-methoxyphenyl)-3-…

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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) 4.74 8.83 -20.4 2 7 0 96 363.373 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TAAR1-1-E Trace Amine-associated Receptor 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 29 0.39 Binding ≤ 10μM
TAAR1-1-E Trace Amine-associated Receptor 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 175 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TAAR1_MOUSE Q923Y8 Trace Amine-associated Receptor1, Mouse 29 0.39 Binding ≤ 1μM
TAAR1_MOUSE Q923Y8 Trace Amine-associated Receptor1, Mouse 29 0.39 Binding ≤ 10μM
TAAR1_MOUSE Q923Y8 Trace Amine-associated Receptor1, Mouse 175 0.35 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Amine ligand-binding receptors
G alpha (s) signalling events

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