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Quick search ChEMBL 36
Compound Detail

CHEMBL428429

FIG 1
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Cn1c(-c2ccccc2)nnc1C12CC3CC(CC(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL428429
Name FIG 1
Phase Preclinical
Structure Type MOL
InChI Key SPLKSRDVCTUAGF-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
3.95
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N3
MW 293.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.67

Activity Summary

IC50 6 meas. best 7.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
11-beta-hydroxysteroid dehydrogenase 1
CHEMBL3910
 IC50 7.43 7.1167 37.0 3
11-beta-hydroxysteroid dehydrogenase 1
CHEMBL4235
 IC50 7.43 7.2733 37.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
11-beta-hydroxysteroid dehydrogenase 1 IC50 = 37.0 nM 7.43 Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells 18434143
11-beta-hydroxysteroid dehydrogenase 1 IC50 = 37.0 nM 7.43 Inhibition of human 11beta HSD1 by SPA assay 18440811
11-beta-hydroxysteroid dehydrogenase 1 IC50 = 37.0 nM 7.43 Inhibition of human 11beta-HSD1 24294985
11-beta-hydroxysteroid dehydrogenase 1 IC50 = 109.0 nM 6.96 Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells 18434143
11-beta-hydroxysteroid dehydrogenase 1 IC50 = 109.0 nM 6.96 Inhibition of mouse 11beta HSD1 by SPA assay 18440811
11-beta-hydroxysteroid dehydrogenase 1 IC50 = 109.0 nM 6.96 Inhibition of mouse 11beta-HSD1 24294985

Literature References

PubMed DOI Target Context # Activities
18434143 10.1016/j.bmcl.2008.04.010 11-beta-hydroxysteroid dehydrogenase 1 3
18434143 10.1016/j.bmcl.2008.04.010 Mus musculus 2
18440811 10.1016/j.bmcl.2008.04.013 11-beta-hydroxysteroid dehydrogenase 1 2
18440811 10.1016/j.bmcl.2008.04.013 11-beta-hydroxysteroid dehydrogenase type 2 2
18440811 10.1016/j.bmcl.2008.04.013 Mus musculus 2
24294985 10.1021/jm4014746 Mus musculus 2
24294985 10.1021/jm4014746 11-beta-hydroxysteroid dehydrogenase 1 2
18434143 10.1016/j.bmcl.2008.04.010 11-beta-hydroxysteroid dehydrogenase type 2 1

Data from ChEMBL 36 via Core Engine