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Compound Detail

CHEMBL5542799

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Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(NC(=O)c2cccc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5542799
Phase Preclinical
Structure Type MOL
InChI Key LNNXCRHTVBUXAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
4.02
ALogP
7
HBA
2
HBD
115.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H18N6O2
MW 434.46
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
38913497 10.1021/acs.jmedchem.4c00475 Coagulation factor XII 2

Data from ChEMBL 36 via Core Engine