UCSF

ZINC13796836

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 28 No

Popular Name: (4S,5S)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,3,4,5-tetrahydrochromeno[3,4-f]quinoline (4S,5S)-5-(4-chlorophenyl)-2,2,4…

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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) 6.99 12.22 -5.18 1 2 0 21 389.926 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 10 0.40 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 39 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PRGR_HUMAN P06401 Progesterone Receptor, Human 10.1 0.40 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 10.1 0.40 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 39 0.37 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
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.