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Compound Detail

CHEMBL493602

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COc1cc(Br)cc2cc(C(=O)Nc3ccccc3)c(=O)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493602
Phase Preclinical
Structure Type MOL
InChI Key LIBPMSGKTCOWCM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

374.2
MW (Da)
3.82
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12BrNO4
MW 374.19
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
18459730 10.1021/jm8002697 Coagulation factor X 1
18459730 10.1021/jm8002697 Coagulation factor VII/tissue factor 1
18459730 10.1021/jm8002697 Plasma kallikrein 1
18459730 10.1021/jm8002697 Coagulation factor XII 1
18459730 10.1021/jm8002697 Prothrombin 1

Data from ChEMBL 36 via Core Engine