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Compound Detail

CHEMBL4457113

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Cn1nccc1Nc1nccc(-c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4457113
Phase Preclinical
Structure Type MOL
InChI Key JDDKPMOIMSKLGM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
3.17
ALogP
7
HBA
1
HBD
88.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N7O
MW 397.44
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
30605831 10.1016/j.ejmech.2018.12.040 Mitogen-activated protein kinase 1 1

Data from ChEMBL 36 via Core Engine