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Compound Detail

CHEMBL23651

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O=C(Cc1cccc2ccccc12)N1CCC(CNCCCCNCC2CCN(c3ccncc3)CC2)CC1

Basic Information

ChEMBL ID CHEMBL23651
Phase Preclinical
Structure Type MOL
InChI Key QONNPOKXOAUWKJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

527.8
MW (Da)
4.89
ALogP
5
HBA
2
HBD
60.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H45N5O
MW 527.76
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 6.77 6.77 170.0 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