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Compound Detail

CHEMBL573284

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COc1nc(C)c(Nc2nc(C#N)cn([C@H](C)C3CC3)c2=O)cc1C

Basic Information

ChEMBL ID CHEMBL573284
Phase Preclinical
Structure Type MOL
InChI Key CLRRTXABLKAYGU-GFCCVEGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
2.85
ALogP
7
HBA
1
HBD
92.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N5O2
MW 339.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 8.0 8.0 10.0 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