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Compound Detail

CHEMBL1084423

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Cc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1N(C)C

Basic Information

ChEMBL ID CHEMBL1084423
Phase Preclinical
Structure Type MOL
InChI Key WFAWSQOYHNWGQF-GFCCVEGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

361.9
MW (Da)
3.69
ALogP
6
HBA
1
HBD
63.0
PSA (Ų)
0.88
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 C18H24ClN5O
MW 361.88
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 9.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 9.17 9.17 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20176478 10.1016/j.bmcl.2010.01.129 Liver microsomes 2
20176478 10.1016/j.bmcl.2010.01.129 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine