UCSF

ZINC13611394

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 34 Yes

Popular Name: 1-[(4R)-6-[(4-tert-butylphenyl)methylamino]-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]ethanone 1-[(4R)-6-[(4-tert-butylphenyl)m…

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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) 7.24 15.56 -7.07 1 3 0 32 454.658 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FSHR-1-E Follicle Stimulating Hormone Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 930 0.25 Functional ≤ 10μM
Z80092-2-O CHO-K1 (Ovarian Cells) (cluster #2 Of 2), Other Other 930 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80092 Z80092 CHO-K1 (Ovarian Cells) 930 0.25 Functional ≤ 10μM
FSHR_HUMAN P23945 Follicle Stimulating Hormone Receptor, Human 930 0.25 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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