Structure

InChI Key QCHSEDTUUKDTIG-UHFFFAOYSA-L
Smile O=C([O-])C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O.[K+].[K+].[OH-]
InChI
InChI=1S/C16H11ClN2O3.2K.H2O/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;;;/h1-8,14H,(H,18,20)(H,21,22);;;1H2/q;2*+1;/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H11ClK2N2O4
Molecular Weight 408.92
AlogP 2.58
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 78.76
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR GABA-A receptor; anion channel positive allosteric modulator FDA ISBN

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
20.76
Psychiatric disorders
17.02
Nervous system disorders
16.43
Injury, poisoning and procedural complications
10.0
Cardiac disorders
6.09
Gastrointestinal disorders
4.69
Musculoskeletal and connective tissue disorders
4.65
Social circumstances
3.97
Respiratory, thoracic and mediastinal disorders
2.62
Skin and subcutaneous tissue disorders
2.24
Investigations
2.08

Cross References

Resources Reference
ChEBI 3762
ChEMBL CHEMBL2096631
FDA SRS 63FN7G03XY
PubChem 167305
SureChEMBL SCHEMBL40837