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Compound Detail

CHEMBL23848

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CCc1ccc(CCP(=O)(O)O)c(CC(N)C(=O)O)c1

Basic Information

ChEMBL ID CHEMBL23848
Phase Preclinical
Structure Type MOL
InChI Key UNYJGRRRRPSGGU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.3
MW (Da)
0.92
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H20NO5P
MW 301.28
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.62

Activity Summary

Ki 2 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
Ki 4.77 4.535 17000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80228-0 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine