UCSF

ZINC40937752

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 34 Yes

Popular Name: 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxo-ethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxo-buta 4-[[2-(4-chlorophenyl)-3-[2-(dip…

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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) 4.10 13.33 -64.23 1 8 -1 107 483.976 11 ↓
Lo Low (pH 4.5-6) 4.10 13.92 -59.24 2 8 0 108 484.984 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TSPO-1-E Peripheral-type Benzodiazepine Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 285 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TSPO_RAT P16257 Peripheral-type Benzodiazepine Receptor, Rat 285.3 0.27 Binding ≤ 1μM
TSPO_RAT P16257 Peripheral-type Benzodiazepine Receptor, Rat 285.3 0.27 Binding ≤ 10μM

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