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Compound Detail

CHEMBL5575712

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Cc1ccc(N2CCN(CCCC3OC(=O)c4cc(NS(C)(=O)=O)ccc43)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5575712
Phase Preclinical
Structure Type MOL
InChI Key MOWJVGADNDQSRQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.6
MW (Da)
3.18
ALogP
6
HBA
1
HBD
79.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29N3O4S
MW 443.57
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.89

Activity Summary

Ki 1 meas. best 7.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL311
 Ki 7.91 7.91 12.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, NMDA 2B Ki = 12.36 nM 7.91 Displacement of [3H]ifenprodil from rat GluN2B assessed as inhibition constant m... 38413367

Literature References

PubMed DOI Target Context # Activities
38413367 10.1021/acs.jmedchem.3c01524 Glutamate receptor ionotropic, NMDA 2B 1

Data from ChEMBL 36 via Core Engine