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Compound Detail

CHEMBL4872456

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CN(C)C(=O)c1cccc(C#Cc2ccccc2Nc2ncnc3ccc(Cl)nc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4872456
Phase Preclinical
Structure Type MOL
InChI Key LRXBJPDQZUITQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.9
MW (Da)
4.52
ALogP
5
HBA
1
HBD
71.0
PSA (Ų)
0.38
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 C24H18ClN5O
MW 427.90
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
34515481 10.1021/acs.jmedchem.1c01084 MAP kinase-interacting serine/threonine-protein kinase 1 1
34515481 10.1021/acs.jmedchem.1c01084 MAP kinase-interacting serine/threonine-protein kinase 2 1

Data from ChEMBL 36 via Core Engine