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Compound Detail

CHEMBL61753

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CN1Cc2c(c3c4ccccc4n(C)c3c3c2c2ccccc2n3CCC#N)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL61753
Phase Preclinical
Structure Type MOL
InChI Key ONNADZZVJAPZJC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
4.94
ALogP
4
HBA
0
HBD
54.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20N4O
MW 392.46
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80995-1 Protein kinase C (PKC) 1
- 10.1016/S0960-894X(01)80995-1 cAMP-dependent protein kinase catalytic subunit alpha 1
- 10.1016/S0960-894X(01)80995-1 cGMP-dependent protein kinase 1 1
- 10.1016/S0960-894X(01)80995-1 Myosin light chain kinase, smooth muscle 1
- 10.1016/S0960-894X(01)80995-1 Splenocyte 1

Data from ChEMBL 36 via Core Engine