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Compound Detail

CHEMBL300677

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NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3c(O)ccc4ccccc34)=NO2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL300677
Phase Preclinical
Structure Type MOL
InChI Key IPWQJBCDVFRYKT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

487.5
MW (Da)
3.99
ALogP
6
HBA
3
HBD
131.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21N3O5S
MW 487.54
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
12729667 10.1016/s0960-894x(03)00130-6 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine