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Compound Detail

CHEMBL5558555

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Cc1cc(C(=O)n2nc(-c3ccccn3)nc2N)cc(C)c1N1CCN(C(C)C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5558555
Phase Preclinical
Structure Type MOL
InChI Key NDAJENVZVGOWGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
2.76
ALogP
8
HBA
1
HBD
93.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29N7O
MW 419.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.61

Literature References

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

Data from ChEMBL 36 via Core Engine