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Compound Detail

CHEMBL4290527

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CC(C)N/C(=C1/N=CN(C(C)C)C1=O)c1cc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4290527
Phase Preclinical
Structure Type MOL
InChI Key RADMVFDJAQUFIP-WUKNDPDISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.11
ALogP
3
HBA
2
HBD
60.5
PSA (Ų)
0.85
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 C18H22N4O
MW 310.40
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
30165342 10.1016/j.ejmech.2018.08.045 Calpain-1 catalytic subunit 2

Data from ChEMBL 36 via Core Engine