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Compound Detail

CHEMBL5413091

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N#CCc1cnc(-c2ccc(Cl)c(Cl)c2)n1-c1ccnc(NC(=O)NC2CCCN(C(=O)C3CC3)C2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5413091
Phase Preclinical
Structure Type MOL
InChI Key ZJYJAQMNKQVMCP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

539.4
MW (Da)
4.22
ALogP
7
HBA
2
HBD
128.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24Cl2N8O2
MW 539.43
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.84

Literature References

PubMed DOI Target Context # Activities
36343411 10.1016/j.ejmech.2022.114894 Mitogen-activated protein kinase 10 1
36343411 10.1016/j.ejmech.2022.114894 Mitogen-activated protein kinase 8 1
36343411 10.1016/j.ejmech.2022.114894 Mitogen-activated protein kinase 9 1

Data from ChEMBL 36 via Core Engine