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Compound Detail

CHEMBL151629

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COc1ccccc1-n1nc(C)cc1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL151629
Phase Preclinical
Structure Type MOL
InChI Key KADIXLCBNDLURG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

462.5
MW (Da)
3.76
ALogP
6
HBA
2
HBD
116.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O4S
MW 462.53
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
14640539 10.1021/jm030212h Coagulation factor X 1
14640539 10.1021/jm030212h Prothrombin 1
14640539 10.1021/jm030212h Serine protease 1 1

Data from ChEMBL 36 via Core Engine