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Compound Detail

CHEMBL357121

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Oc1[nH]c(-c2ccncc2)nc2nnnc1-2

Basic Information

ChEMBL ID CHEMBL357121
Phase Preclinical
Structure Type MOL
InChI Key NWVFCQRYIOXLFA-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

214.2
MW (Da)
0.47
ALogP
6
HBA
2
HBD
100.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H6N6O
MW 214.19
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.05

Activity Summary

Kd 2 meas. best 6.2
IC50 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
Kd 6.2 6.14 631.0 2
Glutamate receptor ionotropic AMPA
CHEMBL2096670
IC50 5.75 5.75 1800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7532226 10.1021/jm00004a003 NON-PROTEIN TARGET 4
7532226 10.1021/jm00004a003 Glutamate receptor ionotropic AMPA 1

Data from ChEMBL 36 via Core Engine