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Compound Detail

CHEMBL4088979

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COC(=O)CCCCN1Cc2c(O)cc(O)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4088979
Phase Preclinical
Structure Type MOL
InChI Key IVVBSFVDBKZHEA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
1.40
ALogP
5
HBA
2
HBD
87.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H17NO5
MW 279.29
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.73

Literature References

PubMed DOI Target Context # Activities
28119026 10.1016/j.bmcl.2017.01.029 HepG2 2
28119026 10.1016/j.bmcl.2017.01.029 MDA-MB-435 2
28119026 10.1016/j.bmcl.2017.01.029 HCT-116 2
28119026 10.1016/j.bmcl.2017.01.029 NCI-H460 2
28119026 10.1016/j.bmcl.2017.01.029 MCF-10A 2

Data from ChEMBL 36 via Core Engine