UCSF

ZINC43201419

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 34 Yes

Popular Name: (5-(4-Chlorophenyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone (5-(4-Chlorophenyl)-3H-[1,2,3]tr…

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CAS Numbers: 1072874-79-3 , N/A

Other Names:

MFCD21603903

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) 5.38 12.16 -15.47 0 7 0 67 486.885 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAAH1-5-E Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic Eukaryotes 2 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 2 0.36 Binding ≤ 1μM
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 2 0.36 Binding ≤ 10μM

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

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