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Compound Detail

CHEMBL4472150

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Cc1cc(C)cc(-c2cc(C(=O)Nc3ccccc3Br)no2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4472150
Phase Preclinical
Structure Type MOL
InChI Key XDYPQSOEVATFSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.2
MW (Da)
4.97
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15BrN2O2
MW 371.23
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.88

Literature References

PubMed DOI Target Context # Activities
32292570 10.1021/acsmedchemlett.9b00537 Unchecked 1

Data from ChEMBL 36 via Core Engine