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Compound Detail

CHEMBL4086816

BMS-816336
Phase I
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Phase I
O=C(CC1(c2ccccc2)C2CC3CC1CC(C2)C3O)N1CC(O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4086816
Name BMS-816336
Phase Phase I
Structure Type MOL
InChI Key OAAZMUGLOXGVNH-UHFFFAOYSA-N

Known Names

Bms-816336
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
1
Known Names

Molecular Properties

341.4
MW (Da)
1.94
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C21H27NO3
MW 341.45
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.40

Activity Summary

IC50 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
11-beta-hydroxysteroid dehydrogenase 1
CHEMBL4235
 IC50 8.0 8.0 10.0 1
11-beta-hydroxysteroid dehydrogenase 1
CHEMBL3910
 IC50 7.17 7.17 68.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
11-beta-hydroxysteroid dehydrogenase 1 IC50 = 10.0 nM 8.0 Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate p... 28537398
11-beta-hydroxysteroid dehydrogenase 1 IC50 = 68.0 nM 7.17 Inhibition of mouse 11beta-HSD1 28537398

Literature References

PubMed DOI Target Context # Activities
28537398 10.1021/acs.jmedchem.7b00211 Liver 3
28537398 10.1021/acs.jmedchem.7b00211 11-beta-hydroxysteroid dehydrogenase 1 2

Data from ChEMBL 36 via Core Engine