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Compound Detail

CHEMBL5201769

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CNCCNC(=O)CC(CC(=O)NC1Cc2ccccc2C1)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5201769
Phase Preclinical
Structure Type MOL
InChI Key FXCQWGMNAYVIQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

413.9
MW (Da)
2.82
ALogP
3
HBA
3
HBD
70.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28ClN3O2
MW 413.95
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
35809817 10.1016/j.bmcl.2022.128880 Adenosylhomocysteinase 2
35809817 10.1016/j.bmcl.2022.128880 MCF7 1
35809817 10.1016/j.bmcl.2022.128880 A549 1
35809817 10.1016/j.bmcl.2022.128880 HeLa 1
35809817 10.1016/j.bmcl.2022.128880 MGC-803 1
35809817 10.1016/j.bmcl.2022.128880 L02 1

Data from ChEMBL 36 via Core Engine