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Compound Detail

CHEMBL3827143

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CCC(=O)Oc1cc2c(c(OC(=O)CC)c1)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3827143
Phase Preclinical
Structure Type MOL
InChI Key IQGMYQYBLFQIGF-BPLPYTOXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
4.80
ALogP
7
HBA
0
HBD
96.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30O7
MW 430.50
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 1.03

Literature References

PubMed DOI Target Context # Activities
27311894 10.1016/j.bmcl.2016.06.007 KB 2
27311894 10.1016/j.bmcl.2016.06.007 MCF7 2
27311894 10.1016/j.bmcl.2016.06.007 Vero 2

Data from ChEMBL 36 via Core Engine