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Compound Detail

CHEMBL4755409

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O=C(Nc1nc(Nc2ccccc2)n[nH]1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4755409
Phase Preclinical
Structure Type MOL
InChI Key JSXAZVPBIUDZNM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
2.80
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.69
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 C15H13N5O
MW 279.30
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.55

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