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Compound Detail

CHEMBL166235

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CCN(c1nc(C)cc(N(CCOC)Cc2ccccc2)n1)c1ccc(C(C)C)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL166235
Phase Preclinical
Structure Type MOL
InChI Key BRGUQGTVTZSFMR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

497.5
MW (Da)
6.48
ALogP
5
HBA
0
HBD
41.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33BrN4O
MW 497.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.12

Activity Summary

Ki 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
 Ki 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Corticotropin-releasing factor receptor 1 Ki = 14.0 nM 7.85 Binding affinity for human recombinant corticotropin releasing factor receptor 1 10072679

Literature References

PubMed DOI Target Context # Activities
10072679 10.1021/jm980222w Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine