UCSF

ZINC29133439

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 21 Yes

Popular Name: DNC008336 DNC008336

Find On: PubMed — Wikipedia — Google

Other Names:

WAY-255348

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) 2.80 7.04 -11.03 1 4 0 58 283.306 1 ↓

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 196 0.45 Binding ≤ 10μM
MCR-2-E Mineralocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 3700 0.36 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 4 0.56 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 5 0.55 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 196 0.45 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 4.1 0.56 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 196 0.45 Binding ≤ 10μM
MCR_HUMAN P08235 Mineralocorticoid Receptor, Human 3700 0.36 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 4.1 0.56 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 5 0.55 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% )

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