[3H]pregnenolone sulphate

Ligand id: 6504

Name: [3H]pregnenolone sulphate    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 89.05
Molecular weight 396.2
XLogP 3.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Synonyms
[3H]-pregnenolone sulfate
Comments
The position of the radiolabelled hydrogen atom in this compound is unspecified.
Database Links
ChEMBL Ligand CHEMBL1179605
GtoPdb PubChem SID 178103118
PubChem CID 105074
RCSB PDB Ligand A8W
Search Google for chemical match using the InChIKey DIJBBUIOWGGQOP-QGVNFLHTSA-N
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Search UniChem for chemical match using the InChIKey DIJBBUIOWGGQOP-QGVNFLHTSA-N
Search UniChem for chemicals with the same backbone DIJBBUIOWGGQOP