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Compound Detail

CHEMBL572588

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COC[C@@H](C)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O

Basic Information

ChEMBL ID CHEMBL572588
Phase Preclinical
Structure Type MOL
InChI Key DZTDHMGXIRVSAW-SECBINFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.8
MW (Da)
3.46
ALogP
7
HBA
1
HBD
78.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19ClF2N4O3
MW 388.80
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.32

Activity Summary

IC50 1 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 8.8 8.8 1.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19954247 10.1021/jm900716v Liver microsomes 2
19954247 10.1021/jm900716v Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine