UCSF

ZINC03833952

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 23 No

Popular Name: 5a-Pregnane-3,20-dione 5a-Pregnane-3,20-dione

Find On: PubMed — Wikipedia — Google

CAS Numbers: 566-65-4 , [566-65-4]

Other Names:

3,20-allopregnanedione; 3,20-dioxo-5-alpha-pregnane; 5-alpha-dihydroprogesterone; 5-alpha-pregnane-3,20-dione; 566-65-4; CPD-293

3,20-Allopregnanedione; 3,20-Dioxo-5.alpha.-pregnane; 3,20-dioxo-5alpha-pregnane; 5-alpha-dihydroprogesterone; 5.alpha.-Dihydroprogesterone; 5.alpha.-Pregnane-3,20-dione; 5.beta.-Pregnane-3,20-dione; 5alpha-Pregnane-3,20-dione; 5alpha-Pregnane-3,20-dione

3,20-Allopregnanedione; 3,20-Dioxo-5a-pregnane; 3,20-Dioxo-5alpha-pregnane; 5-alpha-Dihydroprogesterone; 5-alpha-Pregnane-3,20-dione; 5a-Dihydroprogesterone; 5a-Pregnan-3,20-dione; 5a-Pregnane-3,20-dione; 5alpha-Dihydroprogesterone; 5alpha-Pregnane-3,20-d

3,20-Allopregnanedione; 3,20-Dioxo-5alpha-pregnane; 5-alpha-Dihydroprogesterone; 5-alpha-Pregnane-3,20-dione; 5alpha-Dihydroprogesterone; 5alpha-Pregnane-3,20-dione; 5beta-Pregnane-3,20-dione; BRN 2058506; EINECS 209-297-3; LS-118538; NSC 18319; Pregnane-

3,20-allopregnanedione; 3,20-dioxo-5alpha-pregnane; 5-alpha-dihydroprogesterone; 5alpha-dihydroprogesterone; 5alpha-pregnane-3,20-dione

3,20-allopregnanedione; 3,20-dioxo-5alpha-pregnane; 5-alpha-dihydroprogesterone; 5alpha-Pregnane-3,20-dione; 5alpha-dihydroprogesterone

3,20-Allopregnanedione;3,20-Dioxo-5a-pregnane;3,20-Dioxo-5alpha-pregnane;5-alpha-Dihydroprogesterone;5-alpha-Pregnane-3,20-dione;5a-Dihydroprogesterone;5a-Pregnan-3,20-dione;5a-Pregnane-3,20-dione;5alpha-Dihydroprogesterone;5alpha-pregnan-3,20-dione;5alph

3,20-Allopregnanedione;3,20-Dioxo-5a-pregnane;3,20-Dioxo-5alpha-pregnane;5-alpha-Dihydroprogesterone;5-alpha-Pregnane-3,20-dione;5a-Dihydroprogesterone;5a-Pregnan-3,20-dione;5a-Pregnane-3,20-dione;5alpha-Dihydroprogesterone;5alpha-Pregnane-3,20-dione;5alp

5-Alpha-dihydroprogesterone

5-alpha-Pregnan-3,20-dione

566-65-4; 5alpha-Dihydroprogesterone; 5alpha-Pregnane-3,20-dione; C03681

5A-pregnane-3-20-dione-allo

5ALPHA-DIHYDROPROGESTERONE

5alpha-Pregnane-3,20-dione

5α-dihydroprogesterone

CHEBI:2144; CHEBI:12175; CHEBI:20657

LS-118537

MFCD00067132

N/A

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) 3.99 2.56 -8.25 0 2 0 34 316.485 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPBAR-2-E G-protein Coupled Bile Acid Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 290 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GPBAR_HUMAN Q8TDU6 G-protein Coupled Bile Acid Receptor 1, Human 290 0.40 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class A/1 (Rhodopsin-like receptors)
G alpha (s) signalling events

Analogs ( Draw Identity 99% 90% 80% 70% )