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Compound Detail

CHEMBL179499

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CCCN(CCC1CC1)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C

Basic Information

ChEMBL ID CHEMBL179499
Phase Preclinical
Structure Type MOL
InChI Key AZOQHJDSUKZHKB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.6
MW (Da)
5.17
ALogP
4
HBA
0
HBD
41.4
PSA (Ų)
0.60
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36N4O
MW 408.59
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.24

Activity Summary

Ki 1 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 6.11 6.11 770.0 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