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Compound Detail

CHEMBL299737

BENZYLPHOSPHONIC ACID
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O=P(O)(O)Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL299737
Name BENZYLPHOSPHONIC ACID
Phase Preclinical
Structure Type MOL
InChI Key OGBVRMYSNSKIEF-UHFFFAOYSA-N
0
Targets
9
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

172.1
MW (Da)
1.36
ALogP
1
HBA
2
HBD
57.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H9O3P
MW 172.12
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.01

Activity Summary

Ki 8 meas.
Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
12904075 10.1021/jm030106f Unchecked 2
12781191 10.1016/s0960-894x(03)00311-1 No relevant target 2
21561155 10.1021/jm200363d Unchecked 2
26117648 10.1016/j.bmc.2015.06.017 Unchecked 2
12904075 10.1021/jm030106f Alkaline phosphatase, germ cell type 1
12904075 10.1021/jm030106f Alkaline phosphatase, tissue-nonspecific isozyme 1
12904075 10.1021/jm030106f Protein tyrosine phosphatase receptor type C-associated protein 1
12904075 10.1021/jm030106f ADMET 1
10476877 10.1016/s0960-894x(99)00403-5 Tyrosine-protein kinase Lck 1
- 10.1016/0960-894X(95)00299-9 Prostatic acid phosphatase 1
12781191 10.1016/s0960-894x(03)00311-1 Mandelate racemase 1
- 10.1016/0960-894X(96)00018-2 Prostatic acid phosphatase 1
21561155 10.1021/jm200363d 1-deoxy-D-xylulose 5-phosphate reductoisomerase 1
26117648 10.1016/j.bmc.2015.06.017 Tyrosine-protein phosphatase non-receptor type 1 1
26117648 10.1016/j.bmc.2015.06.017 Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 1
26117648 10.1016/j.bmc.2015.06.017 Alkaline phosphatase, placental type 1

Data from ChEMBL 36 via Core Engine