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Compound Detail

CHEMBL289151

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CC[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n(c23)[C@@H]1CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL289151
Phase Preclinical
Structure Type MOL
InChI Key VAKWFAARKWMFQB-WRWORJQWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.2
MW (Da)
2.05
ALogP
4
HBA
2
HBD
92.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15BrN2O4
MW 367.20
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.24

Activity Summary

Ki 1 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
 Ki 8.85 8.85 1.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, NMDA 1 Ki = 1.4 nM 8.85 Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00243-M Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine