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Compound Detail

CHEMBL314256

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C[C@]12N[C@H](Cc3cc(N=C=S)ccc31)c1ccccc12

Basic Information

ChEMBL ID CHEMBL314256
Phase Preclinical
Structure Type MOL
InChI Key SAPCJZOHSAJPDX-SJORKVTESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
3.88
ALogP
3
HBA
1
HBD
24.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2S
MW 278.38
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.76

Activity Summary

Ki 1 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 6.07 6.07 843.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8355251 10.1021/jm00069a008 Glutamate NMDA receptor 2

Data from ChEMBL 36 via Core Engine