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Compound Detail

CHEMBL5181989

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

Basic Information

ChEMBL ID CHEMBL5181989
Phase Preclinical
Structure Type MOL
InChI Key QWUBPHCJBBPPJB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

433.6
MW (Da)
3.39
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H35N3O2
MW 433.60
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.92

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