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Compound Detail

CHEMBL66631

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Cc1nc(NC2CCCCC2)c2nn(C)c(-c3ccc(Cl)cc3Cl)c2n1

Basic Information

ChEMBL ID CHEMBL66631
Phase Preclinical
Structure Type MOL
InChI Key GRVFYLXAKZNFGQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.3
MW (Da)
5.39
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.65
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21Cl2N5
MW 390.32
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.35

Activity Summary

Ki 1 meas. best 6.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 6.76 6.76 174.0 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