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Compound Detail

CHEMBL4752505

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Cn1cc2ccc(-c3ccc(=O)n(Cc4ccccc4)c3)cc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4752505
Phase Preclinical
Structure Type MOL
InChI Key CRPGZUXEDSMSJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.45
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3O
MW 315.38
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
33303237 10.1016/j.ejmech.2020.113057 MAP kinase-interacting serine/threonine-protein kinase 1 1
33303237 10.1016/j.ejmech.2020.113057 MAP kinase-interacting serine/threonine-protein kinase 2 1

Data from ChEMBL 36 via Core Engine