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Compound Detail

CHEMBL10189

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CCN(c1nc(C)cc(-c2ccccc2-c2ccccc2)n1)c1ccc(C(C)C)cc1Br

Basic Information

ChEMBL ID CHEMBL10189
Phase Preclinical
Structure Type MOL
InChI Key ZNODYVKCIZYTDY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.5
MW (Da)
8.16
ALogP
3
HBA
0
HBD
29.0
PSA (Ų)
0.28
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 C28H28BrN3
MW 486.46
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.67

Activity Summary

Ki 1 meas. best 8.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 8.08 8.08 8.4 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