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Compound Detail

CHEMBL169784

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Cc1cc(C)c2ccn(-c3ccc(C(C)C)cc3Br)c2n1

Basic Information

ChEMBL ID CHEMBL169784
Phase Preclinical
Structure Type MOL
InChI Key QFPQNRRUWQDVHQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
5.53
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.60
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19BrN2
MW 343.27
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.96

Activity Summary

Ki 1 meas. best 7.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
Ki 7.33 7.33 47.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10072680 10.1021/jm980223o Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine