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Compound Detail

CHEMBL279867

PANADIPLON
🧪 Phase II
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🧪 Phase II
CC(C)n1c(=O)c2c(-c3noc(C4CC4)n3)ncn2c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL279867
Name PANADIPLON
Phase Phase II
Structure Type MOL
InChI Key ZGEGOFCLSWVVKG-UHFFFAOYSA-N

Known Names

FG-10571 Panadiplon Panadiplone U-78875
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
17
Publications
4
Known Names

Molecular Properties

335.4
MW (Da)
3.16
ALogP
7
HBA
0
HBD
78.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -plon
USAN Year 1990

Extended Properties

Molecular Formula C18H17N5O2
MW 335.37
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.56

Activity Summary

Ki 8 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
 Ki 8.8 8.8 1.6 4
GABA-A receptor; alpha-1/beta-2/gamma-2
CHEMBL2095172
 Ki 8.46 8.46 3.5 1
GABA A receptor alpha-3/beta-2/gamma-2
CHEMBL2111339
 Ki 8.24 8.24 5.7 1
GABA A receptor alpha-6/beta-2/gamma-2
CHEMBL2111365
 Ki 6.22 6.22 603.0 1
GABA A receptor alpha-6/beta-2/gamma-2
CHEMBL2111370
 Ki 6.22 6.22 603.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
GABA-A receptor; anion channel Ki = 1.6 nM 8.8 Inhibition of [3H]flunitrazepam binding to GABA-A receptor of rat cortical membr... 8568803
GABA-A receptor; anion channel Ki = 1.6 nM 8.8 Displacement of [3H]flunitrazepam from GABA-A benzodiazepine receptor of rat cor... 8917654
GABA-A receptor; anion channel Ki = 1.6 nM 8.8 Binding affinity against benzodiazepine receptor (BzR) in rat cortical membranes... 8809170
GABA-A receptor; anion channel Ki = 1.6 nM 8.8 Displacement of [3H]flunitrazepam from GABA-A benzodiazepine receptor of rat cor... 10197957
GABA-A receptor; alpha-1/beta-2/gamma-2 Ki = 3.5 nM 8.46 Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 su... 8568803
GABA A receptor alpha-3/beta-2/gamma-2 Ki = 5.7 nM 8.24 Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 su... 8568803
GABA A receptor alpha-6/beta-2/gamma-2 Ki = 603.0 nM 6.22 Displacement of [3H]-Ro-15-4513 from GABA-A receptor alpha-6-beta-2-gamma-2 subu... 8568803
GABA A receptor alpha-6/beta-2/gamma-2 Ki = 603.0 nM 6.22 Displacement of [3H]-Ro- 15-4513 from alpha-6 beta2 gamma2 subunits of Rat GABA-... 8917654

Literature References

PubMed DOI Target Context # Activities
8809170 10.1021/jm960070+ Mus musculus 5
8568803 10.1021/jm940765f Mus musculus 4
10197957 10.1021/jm9801307 Mus musculus 3
8568803 10.1021/jm940765f Rattus norvegicus 2
8568803 10.1021/jm940765f GABA-A receptor; anion channel 2
8917654 10.1021/jm960401i GABA-A receptor; anion channel 2
10197957 10.1021/jm9801307 GABA-A receptor; anion channel 2
8809170 10.1021/jm960070+ GABA-A receptor; anion channel 2
10197957 10.1021/jm9801307 GABA-A receptor; alpha-1/beta-2/gamma-2 1
10197957 10.1021/jm9801307 Rattus norvegicus 1
8809170 10.1021/jm960070+ GABA-A receptor; alpha-1/beta-2/gamma-2 1
8917654 10.1021/jm960401i GABA A receptor alpha-6/beta-2/gamma-2 1
8917654 10.1021/jm960401i Rattus norvegicus 1
8917654 10.1021/jm960401i GABA-A receptor; alpha-1/beta-2/gamma-2 1
8568803 10.1021/jm940765f GABA A receptor alpha-6/beta-2/gamma-2 1
8568803 10.1021/jm940765f GABA A receptor alpha-3/beta-2/gamma-2 1
8568803 10.1021/jm940765f GABA-A receptor; alpha-1/beta-2/gamma-2 1

Data from ChEMBL 36 via Core Engine