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Compound Detail

CHEMBL5395134

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C[C@@H](O)CNc1nccc(-n2c(CC#N)cnc2-c2ccc3ccccc3n2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5395134
Phase Preclinical
Structure Type MOL
InChI Key MTLGSBMSYAUVFE-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
2.74
ALogP
8
HBA
2
HBD
112.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N7O
MW 385.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
36343411 10.1016/j.ejmech.2022.114894 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine