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Compound Detail

CHEMBL10125

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CCN(c1nc(C)cc(-c2ccccc2[N+](=O)[O-])n1)c1ccc(C(C)C)cc1Br

Basic Information

ChEMBL ID CHEMBL10125
Phase Preclinical
Structure Type MOL
InChI Key RRRMMBTYAZUZLE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

455.4
MW (Da)
6.40
ALogP
5
HBA
0
HBD
72.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23BrN4O2
MW 455.36
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.11

Activity Summary

Ki 1 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 8.62 8.62 2.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10230640 10.1016/s0960-894x(99)00132-8 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine