CP-866087

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: MDH21334PI

Structure
InChI Key ZBVPUFSKFGYNLC-FIDNPTQWSA-N
Smile CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@H]21
InChI
InChI=1S/C24H30N2O3S/c1-3-24(19-9-6-10-20(11-19)25-30(2,28)29)21-14-26(15-22(21)24)16-23(27)12-17-7-4-5-8-18(17)13-23/h4-11,21-22,25,27H,3,12-16H2,1-2H3/t21-,22+,24+

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H30N2O3S
Molecular Weight 426.58
AlogP 2.8
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 69.64
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Mu opioid receptor antagonist Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - - 6
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 1600 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - 0-1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Obesity 2 D009765 ClinicalTrials
Alcoholism 2 D000437 ClinicalTrials
Sexual Dysfunction, Physiological 2 D012735 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3219616
DrugBank DB12196
FDA SRS MDH21334PI
PubChem 11154544
SureChEMBL SCHEMBL14161503
ZINC ZINC000169323664
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