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Compound Detail

CHEMBL208668

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CC(=O)Nc1cc(N)c(C#N)c(OCCN(C)C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL208668
Phase Preclinical
Structure Type MOL
InChI Key IICSLWGDTCOKQW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
0.43
ALogP
6
HBA
2
HBD
104.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N5O2
MW 263.30
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
16759099 10.1021/jm060199b Mitogen-activated protein kinase 8 1
16759099 10.1021/jm060199b Mitogen-activated protein kinase 9 1

Data from ChEMBL 36 via Core Engine