UCSF

ZINC00828378

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 28 Yes

Popular Name: [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone [(2R,4S)-4-anilino-2-methyl-3,4-…

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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) 4.96 -0.04 -8.7 1 4 0 41 372.468 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ECR-1-E Ecdysone Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 700 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ECR_AEDAE P49880 Ecdysone Receptor, Aedae 700 0.31 Functional ≤ 10μM

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