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Compound Detail

CHEMBL351100

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O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2c(O)[nH]ccc-2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL351100
Phase Preclinical
Structure Type MOL
InChI Key JVQJCQBAVSSDPP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

477.0
MW (Da)
3.12
ALogP
6
HBA
2
HBD
106.6
PSA (Ų)
0.47
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 C20H17ClN4O4S2
MW 476.97
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
12593648 10.1021/jm020384z Coagulation factor X 1
12593648 10.1021/jm020384z Prothrombin 1
12593648 10.1021/jm020384z Serine protease 1 1
12593648 10.1021/jm020384z No relevant target 1

Data from ChEMBL 36 via Core Engine