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Compound Detail

CHEMBL5561390

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O=C(c1ccc(-c2ccc3ncc(-c4ccc5[nH]ccc5c4)n3c2)cc1)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5561390
Phase Preclinical
Structure Type MOL
InChI Key YGEWKUHRRFHCPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
4.62
ALogP
4
HBA
1
HBD
62.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22N4O2
MW 422.49
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
38564512 10.1021/acs.jmedchem.3c02008 MAP kinase-interacting serine/threonine-protein kinase 1 1
38564512 10.1021/acs.jmedchem.3c02008 MAP kinase-interacting serine/threonine-protein kinase 2 1

Data from ChEMBL 36 via Core Engine