ALPIDEM

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: I93SC245QZ

Structure
InChI Key JRTIDHTUMYMPRU-UHFFFAOYSA-N
Smile CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChI
InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23Cl2N3O
Molecular Weight 404.34
AlogP 5.5
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 37.61
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
PARTIAL AGONIST Translocator protein partial agonist PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor
- 26-28 - - 28
Membrane receptor
- 7-8 - 1-7 -
Secreted protein
- - 2000 - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 9155-9200 - - -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135649
ChEMBL CHEMBL54349
DrugCentral 134
EPA CompTox DTXSID8049046
FDA SRS I93SC245QZ
PubChem 54897
SureChEMBL SCHEMBL122619
ZINC ZINC000000599598
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