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Compound Detail

CHEMBL67275

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NC(c1cc(O)cc(O)c1)[PH](=O)O

Basic Information

ChEMBL ID CHEMBL67275
Phase Preclinical
Structure Type MOL
InChI Key QRGJEZMAMIGRLE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

203.1
MW (Da)
0.52
ALogP
4
HBA
4
HBD
103.8
PSA (Ų)
0.52
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 C7H10NO4P
MW 203.13
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.64

Activity Summary

EC50 2 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cavia porcellus
CHEMBL369
EC50 5.68 5.68 2089.3 1
Unchecked
CHEMBL612545
EC50 4.56 4.56 27542.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00385-X Unchecked 1
- 10.1016/0960-894X(96)00385-X Cavia porcellus 1

Data from ChEMBL 36 via Core Engine