UCSF

ZINC03920657

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2005 35 No

Popular Name: ULIPRISTAL ACETATE ULIPRISTAL ACETATE

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CAS Numbers: 126784-99-4 , 159811-51-5 , [126784-99-4]

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) 4.87 3.73 -16.73 0 5 0 63 475.629 5 ↓

Vendor Notes

Note Type Comments Provided By
Target Estrogen/progestogen Receptor Selleck Chemicals
Target Others Selleck Chemicals
PUBCHEM_PATENT_ID WO1997041145A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
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 0.2 0.39 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% )