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Compound Detail

CHEMBL1956072

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CCn1c(-c2nonc2N)nc2cncc(-c3ccc(CN)cc3)c21.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1956072
Phase Preclinical
Structure Type MOL
InChI Key KEVOOKUXBPEDEH-UHFFFAOYSA-N
Parent Compound CHEMBL1963169
Active Moiety CHEMBL1963169
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
2.21
ALogP
8
HBA
2
HBD
121.7
PSA (Ų)
0.59
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 C17H18ClN7O
MW 371.83
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
17018693 10.1124/jpet.106.110635 THP-1 1
17018693 10.1124/jpet.106.110635 Rho-associated protein kinase 1 1
17018693 10.1124/jpet.106.110635 Rho-associated protein kinase 2 1

Data from ChEMBL 36 via Core Engine