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Compound Detail

CHEMBL46547

SARMAZENIL
🧪 Phase II
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🧪 Phase II
CCOC(=O)c1ncn2c1CN(C)C(=O)c1c(Cl)cccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL46547
Name SARMAZENIL
Phase Phase II
Structure Type MOL
InChI Key WSDBAFQWNWJTNG-UHFFFAOYSA-N

Known Names

RO 15-3505 Ro-15-3505 RO-153505 Sarmazenil Sarmazol
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
5
Known Names

Molecular Properties

319.8
MW (Da)
2.29
ALogP
5
HBA
0
HBD
64.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -azenil

Extended Properties

Molecular Formula C15H14ClN3O3
MW 319.75
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.59

Activity Summary

Ki 6 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
 Ki 9.7 8.5333 0.2 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
GABA-A receptor; anion channel Ki = 0.2 nM 9.7 Displacement of [3H]flunitrazepam from diazepam-sensitive GABA-A benzodiazepine ... 8386247
GABA-A receptor; anion channel Ki = 0.2 nM 9.7 Binding affinity for Diazepam sensitive (DS) isoform of the benzodiazepine (Bz) ... 8390574
GABA-A receptor; anion channel Ki = 2.0 nM 8.7 Binding affinity against Diazepam sensitive (DS) Gamma-aminobutyric acid A recep... 7752192
GABA-A receptor; anion channel Ki = 20.0 nM 7.7 Binding affinity against Diazepam insensitive (DI) Gamma-aminobutyric acid A rec... 7752192
GABA-A receptor; anion channel Ki = 20.0 nM 7.7 Displacement of [3H]flunitrazepam from diazepam-insensitive GABA-A benzodiazepin... 8386247
GABA-A receptor; anion channel Ki = 20.0 nM 7.7 Binding affinity for Diazepam insensitive (DI) isoform of the benzodiazepine (Bz... 8390574

Literature References

PubMed DOI Target Context # Activities
8390574 10.1021/jm00065a004 GABA-A receptor; anion channel 3
7752192 10.1021/jm00010a013 GABA-A receptor; anion channel 2
8386247 10.1021/jm00056a008 GABA-A receptor; anion channel 2
8386247 10.1021/jm00056a008 Unchecked 1

Data from ChEMBL 36 via Core Engine