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Compound Detail

CHEMBL5188191

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CCN(C(=O)CC(CC(=O)NCCN1CCCC1)c1ccccc1)C1Cc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5188191
Phase Preclinical
Structure Type MOL
InChI Key UENPCGGWUGKNMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

447.6
MW (Da)
3.78
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H37N3O2
MW 447.62
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.08

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