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Compound Detail

CHEMBL90950

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O=C(Cc1cccc2ccccc12)N1CCC(CNCCCCNCC2CCCCC2)CC1

Basic Information

ChEMBL ID CHEMBL90950
Phase Preclinical
Structure Type MOL
InChI Key NTDMYRNASRNVJL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

449.7
MW (Da)
5.16
ALogP
3
HBA
2
HBD
44.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H43N3O
MW 449.68
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11551773 10.1016/s0960-894x(01)00530-3 Glutamate receptor ionotropic, AMPA 1
11551773 10.1016/s0960-894x(01)00530-3 Rattus norvegicus 1
11551773 10.1016/s0960-894x(01)00530-3 No relevant target 1
11551773 10.1016/s0960-894x(01)00530-3 Glutamate receptor 3 1
11551773 10.1016/s0960-894x(01)00530-3 Unchecked 1

Data from ChEMBL 36 via Core Engine