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Compound Detail

CHEMBL66275

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CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)n(C)nc12

Basic Information

ChEMBL ID CHEMBL66275
Phase Preclinical
Structure Type MOL
InChI Key QJCRRLSRMXLQMY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.5
MW (Da)
4.89
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31N5
MW 365.53
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.97

Activity Summary

Ki 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12127521 10.1016/s0960-894x(02)00358-x Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine