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Compound Detail

CHEMBL4529178

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O=C1c2cc(-c3ccnc(NC4CCNCC4)n3)ccc2CN1C(CO)c1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4529178
Phase Preclinical
Structure Type MOL
InChI Key REBALKOHWRNJJP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.0
MW (Da)
3.65
ALogP
6
HBA
3
HBD
90.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26ClN5O2
MW 463.97
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.87

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