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Compound Detail

CHEMBL301954

(DIISOPROPYLAMINO)METHYLENEDIPHOSPHONIC ACID
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CC(C)N(C(C)C)C(P(=O)(O)O)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL301954
Name (DIISOPROPYLAMINO)METHYLENEDIPHOSPHONIC ACID
Phase Preclinical
Structure Type MOL
InChI Key OREPZWCRSCQDJH-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

275.2
MW (Da)
0.74
ALogP
3
HBA
4
HBD
118.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H19NO6P2
MW 275.18
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.14

Activity Summary

IC50 3 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
14695831 10.1021/jm030084x ADMET 1
14695831 10.1021/jm030084x Farnesyl pyrophosphate synthase 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