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Compound Detail

CHEMBL299443

(4-HYDROXYPHENETHYLAMINO)METHYLENEDIPHOSPHONIC ACID
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O=P(O)(O)C(NCCc1ccc(O)cc1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL299443
Name (4-HYDROXYPHENETHYLAMINO)METHYLENEDIPHOSPHONIC ACID
Phase Preclinical
Structure Type MOL
InChI Key SQDIFGUZSZTPCW-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

311.2
MW (Da)
0.16
ALogP
4
HBA
6
HBD
147.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15NO7P2
MW 311.17
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.24

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
15161194 10.1021/jf049843q Glutamine synthetase 6
17474756 10.1021/jf0701032 Pyrroline-5-carboxylate reductase 2
14695831 10.1021/jm030084x Entamoeba histolytica 1
14695831 10.1021/jm030084x Plasmodium falciparum 1
14695831 10.1021/jm030084x KB 1

Data from ChEMBL 36 via Core Engine