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Compound Detail

CHEMBL12431

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CN(Cc1ccccc1)Cc1ccn(-c2cc3nc(O)c(O)nc3cc2[N+](=O)[O-])c1

Basic Information

ChEMBL ID CHEMBL12431
Phase Preclinical
Structure Type MOL
InChI Key OOIMGNLMHOCHOG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
3.37
ALogP
8
HBA
2
HBD
117.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N5O4
MW 405.41
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.14

Activity Summary

Ki 1 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic AMPA
CHEMBL2096670
Ki 6.06 6.06 880.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic AMPA Ki = 880.0 nM 6.06 Displacement of [3H]AMPA from AMPA receptor -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00170-4 Glutamate receptor ionotropic AMPA 1

Data from ChEMBL 36 via Core Engine