UCSF

ZINC03881874

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 28 No

Popular Name: MEDROXYPROGESTERONE ACETATE MEDROXYPROGESTERONE ACETATE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 71-58-9, 520-85-4 [medrox , 71-58-9, 520-85-4 [medroxyprogesterone]

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) 4.04 11.71 -15.45 0 4 0 60 386.532 3 ↓

Vendor Notes

Note Type Comments Provided By
Therapy contraceptive SMDC Pharmakon

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 11 0.40 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PRGR_HUMAN P06401 Progesterone Receptor, Human 10.8 0.40 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 10.8 0.40 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 0.12 0.50 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% )