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Compound Detail

CHEMBL23192

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CC(C)(C)c1ccc(CCP(=O)(O)O)c(CC(N)C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL23192
Phase Preclinical
Structure Type MOL
InChI Key VRAIUNGUWFCSOV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.3
MW (Da)
1.66
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H24NO5P
MW 329.33
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.34

Activity Summary

Ki 1 meas. best 4.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 Ki 4.54 4.54 29000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus Ki = 29000.0 nM 4.54 Inhibition of kainic acid (KA)-induced currents in rat brain mRNA-injected xenop... -

Literature References

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

Data from ChEMBL 36 via Core Engine