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Compound Detail

CHEMBL270185

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CC(C)(Oc1ccc(C#N)cn1)C(=O)N[C@H]1C2COCC1C[C@H](C(N)=O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL270185
Phase Preclinical
Structure Type MOL
InChI Key QXFMPHMMODBPRL-INABQMDNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
0.75
ALogP
6
HBA
2
HBD
127.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N4O4
MW 372.43
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
11-beta-hydroxysteroid dehydrogenase 1
CHEMBL4235
 IC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
11-beta-hydroxysteroid dehydrogenase 1 IC50 = 10.96 nM 7.96 Inhibition of 11beta-HSD1 18314331

Literature References

PubMed DOI Target Context # Activities
18314331 10.1016/j.bmcl.2008.02.042 11-beta-hydroxysteroid dehydrogenase 1 1

Data from ChEMBL 36 via Core Engine