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Compound Detail

CHEMBL523897

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O=C([O-])CC(=O)NCCCc1cccc(Oc2ccccc2)c1.[K+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL523897
Phase Preclinical
Structure Type MOL
InChI Key WMMPEDWPOKDWRL-UHFFFAOYSA-M
Parent Compound CHEMBL1208287
Active Moiety CHEMBL1208287
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
3.00
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18KNO4
MW 351.44
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.44

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
19456099 10.1021/jm9001764 4,4'-diapophytoene synthase 1
19456099 10.1021/jm9001764 Staphylococcus aureus 1
19456099 10.1021/jm9001764 Squalene synthase 1
19456099 10.1021/jm9001764 MCF7 1
19456099 10.1021/jm9001764 NCI-H460 1
19456099 10.1021/jm9001764 SF-268 1

Data from ChEMBL 36 via Core Engine