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Compound Detail

CHEMBL578838

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COC[C@H](C1CC1)n1cc(C#N)nc(Nc2cc(C)c(OC)nc2C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL578838
Phase Preclinical
Structure Type MOL
InChI Key GATWWAXZRLFSLI-MRXNPFEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
2.48
ALogP
8
HBA
1
HBD
102.1
PSA (Ų)
0.80
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 C19H23N5O3
MW 369.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
 IC50 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Corticotropin-releasing factor receptor 1 IC50 = 12.0 nM 7.92 Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogen... 19954247

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