Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2251375

2-(DIPHOSPHONOMETHYLAMINO)NICOTINIC ACID
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(O)c1cccnc1NC(P(=O)(O)O)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2251375
Name 2-(DIPHOSPHONOMETHYLAMINO)NICOTINIC ACID
Phase Preclinical
Structure Type MOL
InChI Key YXHVQDSUEOEDIU-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.1
MW (Da)
-0.17
ALogP
5
HBA
6
HBD
177.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H10N2O8P2
MW 312.11
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.41

Activity Summary

IC50 3 meas. best 5.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamine synthetase
CHEMBL2366486
 IC50 5.84 5.84 1450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamine synthetase IC50 = 1450.0 nM 5.84 Inhibition of Oryza sativa cv. Gigante vercellese (rice) glutamine synthetase by... 15161194

Literature References

PubMed DOI Target Context # Activities
15161194 10.1021/jf049843q Glutamine synthetase 6
17474756 10.1021/jf0701032 Pyrroline-5-carboxylate reductase 2

Data from ChEMBL 36 via Core Engine