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Compound Detail

CHEMBL1090366

AMINO(PHENYL)METHYLPHOSPHONIC ACID
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NC(c1ccccc1)P(=O)(O)O

Basic Information

ChEMBL ID CHEMBL1090366
Name AMINO(PHENYL)METHYLPHOSPHONIC ACID
Phase Preclinical
Structure Type MOL
InChI Key ZKFNOUUKULVDOB-UHFFFAOYSA-N
1
Targets
8
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

187.1
MW (Da)
0.82
ALogP
2
HBA
3
HBD
83.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H10NO3P
MW 187.13
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.16

Activity Summary

Ki 5 meas. best 5.75
IC50 3 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 5.75 5.3 1800.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25699713 10.1021/jm501790e Unchecked 4
20538467 10.1016/j.bmc.2010.04.050 Receptor-type tyrosine-protein phosphatase alpha 2
18399639 10.1021/jf800029t Pyrroline-5-carboxylate reductase 2
19697446 10.1002/ps.1830 Glutamine synthetase, chloroplastic 2
20347318 10.1016/j.bmc.2010.02.056 Aminopeptidase N 1
20538467 10.1016/j.bmc.2010.04.050 Receptor-type tyrosine-protein phosphatase beta 1
25699713 10.1021/jm501790e Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine