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Compound Detail

CHEMBL170055

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Cc1cc(C)c2c(C(=O)O)cn(-c3ccc(C(C)C)cc3Br)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL170055
Phase Preclinical
Structure Type MOL
InChI Key XMTQGGDMLQSVQZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.3
MW (Da)
5.23
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.67
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 C19H19BrN2O2
MW 387.28
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.69

Literature References

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

Data from ChEMBL 36 via Core Engine