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Compound Detail

CHEMBL5558001

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Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(NCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5558001
Phase Preclinical
Structure Type MOL
InChI Key ZEZIKUAVRXVRRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
3.22
ALogP
7
HBA
2
HBD
98.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N6O
MW 370.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.55

Literature References

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

Data from ChEMBL 36 via Core Engine