UCSF

ZINC40828915

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 17 Yes

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) 3.21 5.18 -9.47 1 3 0 53 225.247 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-4-E Androgen Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 37 0.61 Binding ≤ 10μM
PRGR-3-E Progesterone Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 3250 0.45 Binding ≤ 10μM
ANDR-3-E Androgen Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 20 0.63 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 37 0.61 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 37 0.61 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 3250 0.45 Binding ≤ 10μM
ANDR_HUMAN P10275 Androgen Receptor, Human 20.1 0.63 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway
Nuclear signaling by ERBB4

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