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Compound Detail

CHEMBL4791078

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Cc1ccc(S(=O)(=O)Nc2nc(-c3ccncc3)n[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4791078
Phase Preclinical
Structure Type MOL
InChI Key UEVIEGLUPJPGTQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
1.98
ALogP
5
HBA
2
HBD
100.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N5O2S
MW 315.36
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.95

Literature References

PubMed DOI Target Context # Activities
33089691 10.1021/acs.jmedchem.0c01635 Blood 2
33089691 10.1021/acs.jmedchem.0c01635 Unchecked 1
33089691 10.1021/acs.jmedchem.0c01635 Coagulation factor X 1
33089691 10.1021/acs.jmedchem.0c01635 Prothrombin 1
33089691 10.1021/acs.jmedchem.0c01635 Coagulation factor XII 1

Data from ChEMBL 36 via Core Engine