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Compound Detail

CHEMBL22324

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O=C(Cc1cccc2ccccc12)NCC(=O)N1CCC(CNCCCCNCC2CCNCC2)CC1

Basic Information

ChEMBL ID CHEMBL22324
Phase Preclinical
Structure Type MOL
InChI Key JPDFQZUMZDUTJI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

507.7
MW (Da)
2.70
ALogP
5
HBA
4
HBD
85.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H45N5O2
MW 507.72
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 6.31 6.31 490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11392532 10.1016/s0960-894x(01)00170-6 Glutamate receptor ionotropic, AMPA 1
11392532 10.1016/s0960-894x(01)00170-6 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine