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Compound Detail

CHEMBL169004

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Cc1cc(-c2ccccc2)nc2c1ccn2-c1ccc(C(C)C)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL169004
Phase Preclinical
Structure Type MOL
InChI Key LUFGBBKPEKJDQF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.3
MW (Da)
6.89
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21BrN2
MW 405.34
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.89

Literature References

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

Data from ChEMBL 36 via Core Engine