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Compound Detail

CHEMBL224119

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Cn1ncc2cc(NC3CCCN(Cc4ccccc4)C3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL224119
Phase Preclinical
Structure Type MOL
InChI Key DETACFZGBIJMNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
3.65
ALogP
4
HBA
1
HBD
33.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N4
MW 320.44
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
17046269 10.1016/j.bmc.2006.09.052 Rho-associated protein kinase 1

Data from ChEMBL 36 via Core Engine