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Compound Detail

CHEMBL4752964

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Cc1cccnc1Nc1cc(C)c2n(c1=O)C1(CCCCC1)NC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4752964
Phase Preclinical
Structure Type MOL
InChI Key AUALXQAIFFXDAP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
2.96
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N4O2
MW 338.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
30824167 10.1016/j.bmc.2019.02.007 MAP kinase-interacting serine/threonine-protein kinase 2 2
30824167 10.1016/j.bmc.2019.02.007 MAP kinase-interacting serine/threonine-protein kinase 1 2

Data from ChEMBL 36 via Core Engine