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Compound Detail

CHEMBL4758288

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O=c1ccc(-c2ccc3cc[nH]c3c2)cn1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4758288
Phase Preclinical
Structure Type MOL
InChI Key ONOUVVHHDHTWFF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
4.04
ALogP
2
HBA
1
HBD
37.8
PSA (Ų)
0.61
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 C20H16N2O
MW 300.36
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.84

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