UCSF

ZINC66251046

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2011 26 Yes

Popular Name: 5-chloro-6-(1H-indol-7-yl)-2,2,3,3,8-pentamethyl-1H-quinolin-4-one 5-chloro-6-(1H-indol-7-yl)-2,2,3…

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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) 5.09 10.5 -11.36 2 3 0 45 366.892 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 416 0.34 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 1900 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 416 0.34 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 416 0.34 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 1900 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
BMAL1:CLOCK,NPAS2 activates circadian gene expression
Nuclear Receptor transcription pathway
Nuclear signaling by ERBB4

Rings

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

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