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Compound Detail

CHEMBL4114834

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COc1cc(CP(=O)(O)CC[C@@H](N)C(=O)O)ccc1OCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4114834
Phase Preclinical
Structure Type MOL
InChI Key DROSYWQBEHIXTD-SNVBAGLBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.3
MW (Da)
0.73
ALogP
6
HBA
4
HBD
156.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20NO8P
MW 361.29
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.23

Activity Summary

EC50 1 meas. best 5.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
 EC50 5.13 5.13 7410.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 4 EC50 = 7410.0 nM 5.13 Pharmacological Assay: Metabotropic glutamate receptors were transiently transfe... -

Data from ChEMBL 36 via Core Engine