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Compound Detail

CHEMBL192335

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CCC(CC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23

Basic Information

ChEMBL ID CHEMBL192335
Phase Preclinical
Structure Type MOL
InChI Key CNNDCWIMMAGCAK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.9
MW (Da)
5.41
ALogP
4
HBA
0
HBD
44.9
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClN4
MW 378.91
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.15

Activity Summary

Ki 1 meas. best 7.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.21 7.21 62.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15943483 10.1021/jm050070m Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine