UCSF

ZINC01914469

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 29 Yes

Popular Name: DNC004382 DNC004382

Find On: PubMed — Wikipedia — Google

Other Names:

LS-191850

ZK-119010

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) 5.28 -1.46 -39.75 3 4 1 49 393.551 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ESR1-1-E Estrogen Receptor Alpha (cluster #1 Of 5), Eukaryotic Eukaryotes 25 0.37 Binding ≤ 10μM
ESR2-3-E Estrogen Receptor Beta (cluster #3 Of 4), Eukaryotic Eukaryotes 242 0.32 Binding ≤ 10μM
ESR1-1-E Estrogen Receptor Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 69 0.35 Functional ≤ 10μM
Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 69 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ESR1_HUMAN P03372 Estrogen Receptor Alpha, Human 25 0.37 Binding ≤ 1μM
ESR2_HUMAN Q92731 Estrogen Receptor Beta, Human 242 0.32 Binding ≤ 1μM
ESR1_HUMAN P03372 Estrogen Receptor Alpha, Human 25 0.37 Binding ≤ 10μM
ESR2_HUMAN Q92731 Estrogen Receptor Beta, Human 242 0.32 Binding ≤ 10μM
ESR1_HUMAN P03372 Estrogen Receptor Alpha, Human 69 0.35 Functional ≤ 10μM
Z80224 Z80224 MCF7 (Breast Carcinoma Cells) 69 0.35 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% )