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Compound Detail

CHEMBL55221

CYCLOHEXYL(HYDROXY)METHYLENEDIPHOSPHONIC ACID
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O=P(O)(O)C(O)(C1CCCCC1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL55221
Name CYCLOHEXYL(HYDROXY)METHYLENEDIPHOSPHONIC ACID
Phase Preclinical
Structure Type MOL
InChI Key YMOJUZRGXNRXAD-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

274.1
MW (Da)
0.57
ALogP
3
HBA
5
HBD
135.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H16O7P2
MW 274.15
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.27

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
14695831 10.1021/jm030084x Entamoeba histolytica 1
14695831 10.1021/jm030084x Plasmodium falciparum 1
14695831 10.1021/jm030084x KB 1
20185316 10.1016/j.bmc.2010.01.068 Plasmodium falciparum 1
20185316 10.1016/j.bmc.2010.01.068 Entamoeba histolytica 1

Data from ChEMBL 36 via Core Engine