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Compound Detail

CHEMBL4853306

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CNC(=O)c1cc(-n2ncc3cc(Nc4cccc(OC)c4Cl)c(C)nc32)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4853306
Phase Preclinical
Structure Type MOL
InChI Key QFMZNDDXNKIBNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

427.9
MW (Da)
4.56
ALogP
7
HBA
2
HBD
81.1
PSA (Ų)
0.49
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 C20H18ClN5O2S
MW 427.92
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
34676036 10.1021/acsmedchemlett.1c00334 Mitogen-activated protein kinase 10 1
34676036 10.1021/acsmedchemlett.1c00334 Mitogen-activated protein kinase 8 1
34676036 10.1021/acsmedchemlett.1c00334 Mitogen-activated protein kinase 9 1
34676036 10.1021/acsmedchemlett.1c00334 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine