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Compound Detail

CHEMBL361344

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CCC(CC)n1cc2c3c(nc(C)nc31)N(c1ccc(C#N)cc1C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL361344
Phase Preclinical
Structure Type MOL
InChI Key BVGKJRWJPRTUKY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
4.98
ALogP
5
HBA
0
HBD
57.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N5
MW 359.48
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.57 7.57 26.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 26.92 nM 7.57 Displacement of [125I]o-CRF from recombinant human CRF receptors expressed in Ch... 15946843

Literature References

PubMed DOI Target Context # Activities
15946843 10.1016/j.bmcl.2005.05.040 Unchecked 1

Data from ChEMBL 36 via Core Engine