UCSF

ZINC22446634

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 29 Yes

Popular Name: Acetophenazine Acetophenazine

Find On: PubMed — Wikipedia — Google

CAS Number: 5714-00-1

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) 3.51 8.26 -43.85 2 5 1 50 412.579 7 ↓
Mid Mid (pH 6-8) 3.51 6.01 -12.22 1 5 0 49 411.571 7 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.01e-02 g/l DrugBank-approved
Patent Database Links EP1815846; EP1829527; EP1829528; EP1844769; US2005009870; US2005014786; US2005080087; US2007259952; US2008108606; US2008255073; WO2005007628; WO2005016286; WO2005037199; WO2005063761; WO2005063762; WO2005092392; WO2007124757; WO2008116308 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-1-E Androgen Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 800 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_RAT P15207 Androgen Receptor, Rat 800 0.29 Binding ≤ 1μM
ANDR_RAT P15207 Androgen Receptor, Rat 800 0.29 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway

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