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Compound Detail

CHEMBL5566077

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O=C(c1ccc(-c2ccc3ncc(-c4ccc(-c5ccccn5)cc4)n3c2)cc1)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5566077
Phase Preclinical
Structure Type MOL
InChI Key SZNGEDFUMBLMIN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
5.20
ALogP
5
HBA
0
HBD
59.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H24N4O2
MW 460.54
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.50

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