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Compound Detail

CHEMBL37098

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C[C@@]1(CC(=O)Nc2ccccc2)CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23

Basic Information

ChEMBL ID CHEMBL37098
Phase Preclinical
Structure Type MOL
InChI Key CWRNSJZGXHEFDM-FQEVSTJZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.3
MW (Da)
3.14
ALogP
4
HBA
2
HBD
84.0
PSA (Ų)
0.63
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 C20H18BrN3O3
MW 428.29
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.60

Activity Summary

Ki 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
Ki 6.12 6.12 760.0 1

Activity Data Samples

Top measurements by pChEMBL value

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