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Compound Detail

CHEMBL14202

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COCCNc1nn2c(-c3ccc(OC)cc3)nnc2c2ccccc12

Basic Information

ChEMBL ID CHEMBL14202
Phase Preclinical
Structure Type MOL
InChI Key JARZEONFIMMZFJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.01
ALogP
7
HBA
1
HBD
73.6
PSA (Ų)
0.54
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 C19H19N5O2
MW 349.39
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.54

Activity Summary

Ki 1 meas. best 8.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 8.27 8.27 5.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2836588 10.1021/jm00401a010 Mus musculus 2
2836588 10.1021/jm00401a010 GABA-A receptor; anion channel 2
2836588 10.1021/jm00401a010 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine