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Compound Detail

CHEMBL493615

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Cc1ccc2oc(=O)c(C(=O)NCCc3ccccc3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493615
Phase Preclinical
Structure Type MOL
InChI Key AOIFLQZKMIKPNH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
3.07
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17NO3
MW 307.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
18459730 10.1021/jm8002697 Prothrombin 1
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

Data from ChEMBL 36 via Core Engine