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Compound Detail

CHEMBL551033

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CC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL551033
Phase Preclinical
Structure Type MOL
InChI Key PXQVFCROVZXJAD-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.9
MW (Da)
4.63
ALogP
5
HBA
1
HBD
56.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24ClN3O2
MW 361.87
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 9.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
 IC50 9.57 9.57 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Corticotropin-releasing factor receptor 1 IC50 = 0.27 nM 9.57 Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex hom... 19552437

Literature References

PubMed DOI Target Context # Activities
19552437 10.1021/jm900301y Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine