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Compound Detail

CHEMBL249191

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CCC(CC)Nc1nc(C)c(Nc2ncc(Cl)cc2Cl)nc1C

Basic Information

ChEMBL ID CHEMBL249191
Phase Preclinical
Structure Type MOL
InChI Key RGIVFAKJRTZQGY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.3
MW (Da)
5.14
ALogP
5
HBA
2
HBD
62.7
PSA (Ų)
0.75
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21Cl2N5
MW 354.29
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.19

Activity Summary

Ki 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 5.4 5.4 3980.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17888659 10.1016/j.bmcl.2007.09.008 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine