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Compound Detail

CHEMBL213489

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O=P([O-])(O)C(C[n+]1cccc(S(=O)(=O)N2CCCC2)c1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL213489
Phase Preclinical
Structure Type MOL
InChI Key CDOYFYBMFPSXIB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

400.3
MW (Da)
-1.19
ALogP
5
HBA
3
HBD
159.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H18N2O8P2S
MW 400.29
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
16970405 10.1021/jm060280e MCF7 1
16970405 10.1021/jm060280e NCI-H460 1
16970405 10.1021/jm060280e SF-268 1

Data from ChEMBL 36 via Core Engine