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Compound Detail

CHEMBL4761623

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Nc1nc(-c2ccccn2)nn1C(=O)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4761623
Phase Preclinical
Structure Type MOL
InChI Key PJXPBTJMFSJDRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
2.14
ALogP
6
HBA
1
HBD
86.7
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N5O
MW 271.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.49

Literature References

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

Data from ChEMBL 36 via Core Engine