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Compound Detail

CHEMBL297868

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CCC(CC)n1nnc2c(N3CCc4cc(Cl)cc(Cl)c43)nc(C)cc21

Basic Information

ChEMBL ID CHEMBL297868
Phase Preclinical
Structure Type MOL
InChI Key BEGBSSPFQACGIG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.3
MW (Da)
5.50
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.59
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 C19H21Cl2N5
MW 390.32
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.41

Activity Summary

Ki 1 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 8.89 8.89 1.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10794681 10.1021/jm990590f Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine