UCSF

ZINC08681718

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2007 32 No

CAS Number: 84371-65-3

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) 5.60 12.39 -10.69 1 3 0 41 429.604 2

Vendor Notes

Note Type Comments Provided By
MP 195 TCI
Purity 99% APIChem
therap progesterone antagonist, abortion inducer MicroSource Spectrum

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PRGR-1-E Progesterone Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 1 0.39 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PRGR_HUMAN P06401 Progesterone Receptor, Human 1.1 0.39 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 1.1 0.39 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 0.3 0.42 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% )