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Compound Detail

CHEMBL482981

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CCN(CC)c1nc(C)nc2c(-c3cc(F)c(OC)cc3Cl)c(C)nn12

Basic Information

ChEMBL ID CHEMBL482981
Phase Preclinical
Structure Type MOL
InChI Key XAUQZVAXSGENNV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.9
MW (Da)
4.06
ALogP
6
HBA
0
HBD
55.5
PSA (Ų)
0.67
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 C18H21ClFN5O
MW 377.85
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.72

Activity Summary

IC50 1 meas. best 8.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 8.79 8.79 1.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19361210 10.1021/jm9000242 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine