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Compound Detail

CHEMBL25258

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c1ccc(-c2cc3nc(N4CCCC4)c4ccccc4c3nn2)cc1

Basic Information

ChEMBL ID CHEMBL25258
Phase Preclinical
Structure Type MOL
InChI Key FRXHUKCFBXGFBN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
4.45
ALogP
4
HBA
0
HBD
41.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N4
MW 326.40
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.17

Activity Summary

Ki 1 meas. best 7.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 7.94 7.94 11.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2993620 10.1021/jm00147a034 Mus musculus 3
2993620 10.1021/jm00147a034 GABA-A receptor; anion channel 2
2993620 10.1021/jm00147a034 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine