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Compound Detail

CHEMBL149975

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CN1C[C@@H]2Cc3ccccc3[C@]13CCCC[C@@H]23

Basic Information

ChEMBL ID CHEMBL149975
Phase Preclinical
Structure Type MOL
InChI Key QOLOIQFHTUKQJN-BPUTZDHNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

227.3
MW (Da)
3.19
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21N
MW 227.35
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.96

Activity Summary

IC50 1 meas. best 6.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.86 6.86 137.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 137.0 nM 6.86 Inhibitory concentration of compound required to displace [3H]TCP 1-[ 1-(2-thien... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80090-6 Mus musculus 2
- 10.1016/S0960-894X(00)80090-6 Glutamate NMDA receptor 1
- 10.1016/S0960-894X(00)80090-6 No relevant target 1

Data from ChEMBL 36 via Core Engine