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Compound Detail

CHEMBL201235

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Oc1nc2sc3c(c2c(O)c1-c1cccc(Oc2ccccc2)c1)CCCC3

Basic Information

ChEMBL ID CHEMBL201235
Phase Preclinical
Structure Type MOL
InChI Key NJXSJKRJWCTNFK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
6.05
ALogP
5
HBA
2
HBD
62.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19NO3S
MW 389.48
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.91

Activity Summary

Ki 1 meas. best 6.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 6.41 6.41 392.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor Ki = 392.0 nM 6.41 Inhibition of [3H]glycine binding to NMDA receptor in rat brain membranes 16451052

Literature References

PubMed DOI Target Context # Activities
16451052 10.1021/jm0503493 Glutamate NMDA receptor 1
16451052 10.1021/jm0503493 L cells 1

Data from ChEMBL 36 via Core Engine