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Compound Detail

CHEMBL5425813

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O=C(Nc1ccccc1)c1ccc(CNc2n[nH]c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5425813
Phase Preclinical
Structure Type MOL
InChI Key LUOKPFLAYVQTGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
4.43
ALogP
3
HBA
3
HBD
69.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N4O
MW 342.40
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
36649216 10.1021/acs.jmedchem.2c01410 Mitogen-activated protein kinase 8 1
36649216 10.1021/acs.jmedchem.2c01410 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine