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Compound Detail

CHEMBL25132

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CCCC(C)n1c(CC)nc2c(-c3ccc(Cl)cc3C)nccc21

Basic Information

ChEMBL ID CHEMBL25132
Phase Preclinical
Structure Type MOL
InChI Key KTEIPADJVSNNQL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.9
MW (Da)
5.98
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24ClN3
MW 341.89
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.05

Activity Summary

Ki 1 meas. best 8.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin releasing factor receptor
CHEMBL2111360
Ki 8.04 8.04 9.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12467632 10.1016/s0960-894x(02)00834-x Corticotropin releasing factor receptor 1

Data from ChEMBL 36 via Core Engine