UCSF

ZINC66073987

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 25 Yes

Popular Name: N-(m-tolyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide N-(m-tolyl)-4-pyrrolidin-1-yl-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) 4.58 10.46 -10.52 1 3 0 32 348.368 4 ↓

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 16 0.44 Binding ≤ 10μM
TAAR1-1-E Trace Amine-associated Receptor 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 70 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TAAR1_MOUSE Q923Y8 Trace Amine-associated Receptor1, Mouse 16 0.44 Binding ≤ 1μM
TAAR1_MOUSE Q923Y8 Trace Amine-associated Receptor1, Mouse 16 0.44 Binding ≤ 10μM
TAAR1_MOUSE Q923Y8 Trace Amine-associated Receptor1, Mouse 70 0.40 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

Rings

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

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