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Compound Detail

CHEMBL148587

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COC(=O)c1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2sc3ccccc3c2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL148587
Phase Preclinical
Structure Type MOL
InChI Key CKQTYRXIRFDJAZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

479.0
MW (Da)
6.15
ALogP
5
HBA
2
HBD
84.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19ClN2O4S
MW 478.96
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.72

Literature References

PubMed DOI Target Context # Activities
12565961 10.1016/s0960-894x(02)00938-1 Coagulation factor X 1
12565961 10.1016/s0960-894x(02)00938-1 Prothrombin 1
12565961 10.1016/s0960-894x(02)00938-1 Trypsin 1

Data from ChEMBL 36 via Core Engine