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Compound Detail

CHEMBL5527855

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Nc1nc(-c2ccccn2)nn1C(=O)c1cccc(N2CCC3(CC2)OCCO3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5527855
Phase Preclinical
Structure Type MOL
InChI Key YARCFZZVBSDZBS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
1.95
ALogP
9
HBA
1
HBD
108.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N6O3
MW 406.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.58

Literature References

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

Data from ChEMBL 36 via Core Engine