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Compound Detail

CHEMBL17098

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O=C(O)[C@@H]1C[C@H]2C[C@@H](c3ccc(-c4nn[nH]n4)s3)CC[C@H]2CN1

Basic Information

ChEMBL ID CHEMBL17098
Phase Preclinical
Structure Type MOL
InChI Key MNVQONXYNHRFDP-MMWGEVLESA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
1.87
ALogP
6
HBA
3
HBD
103.8
PSA (Ų)
0.79
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 C15H19N5O2S
MW 333.42
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.22

Activity Summary

IC50 3 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 5.37 4.865 4300.0 2
Glutamate NMDA receptor
CHEMBL1907608
IC50 4.7 4.7 20100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00185-6 Glutamate receptor ionotropic, AMPA 2
- 10.1016/S0960-894X(97)00185-6 Glutamate NMDA receptor 2

Data from ChEMBL 36 via Core Engine