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Compound Detail

CHEMBL5199897

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O=C(CC(CC(=O)NC1Cc2ccccc2C1)c1ccccc1)NCCN1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5199897
Phase Preclinical
Structure Type MOL
InChI Key GGBPMFPEZHKVNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

419.6
MW (Da)
3.05
ALogP
3
HBA
2
HBD
61.4
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 C26H33N3O2
MW 419.57
Aromatic Rings 2
Heavy Atoms 31
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