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Compound Detail

CHEMBL178165

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CCc1nc2n(c1C(=O)N(CC1CC1)CC1CC1)CCN2c1c(C)cc(C)cc1C

Basic Information

ChEMBL ID CHEMBL178165
Phase Preclinical
Structure Type MOL
InChI Key XQQUWBOTKMKOPS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.6
MW (Da)
4.78
ALogP
4
HBA
0
HBD
41.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H34N4O
MW 406.57
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.11

Activity Summary

Ki 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.17 7.17 68.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15990298 10.1016/j.bmcl.2005.05.117 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine