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Compound Detail

CHEMBL498628

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

Basic Information

ChEMBL ID CHEMBL498628
Phase Preclinical
Structure Type MOL
InChI Key KTBGTSMOBYNDGE-UHFFFAOYSA-L
Parent Compound CHEMBL1208119
Active Moiety CHEMBL1208119
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
2.47
ALogP
4
HBA
3
HBD
112.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18K2NO6PS
MW 461.56
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.70

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