Details of the Drug

General Information of Drug (ID: DMQ8J0U)

Drug Name
Basmisanil
Synonyms
1159600-41-5; UNII-788PET5SUA; 788PET5SUA; (1,1-Dioxidothiomorpholino)(6-((3-(4-fluorophenyl)-5-methylisoxazol-4-yl)methoxy)pyridin-3-yl)methanone; Basmisanil [INN]; Basmisanil [USAN:INN]; Basmisani; Basmisanil(RG1662); Basmisanil (USAN/INN); SCHEMBL2685527; CHEMBL3681419; MolPort-044-561-818; VCGRFBXVSFAGGA-UHFFFAOYSA-N; BDBM133427; EX-A1272; AKOS032947142; ZINC145814743; DB11877; CS-6046; HY-16716; (1,1-Dioxo-4-thiomorpholinyl)(6-((3-(4-fluorophenyl)-5-methylisoxazol-4-yl)methoxy)pyridin-3-yl)metha
Indication
Disease Entry ICD 11 Status REF
Alzheimer disease 8A20 Phase 2 [1]
Cognitive impairment 6D71 Phase 2 [2]
Complete androgen insensitivity syndrome LD2A.4 Phase 2 [3]
Immune dysregulation 4A01.2 Phase 2 [3]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 445.5
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C21H20FN3O5S
IUPAC Name
(1,1-dioxo-1,4-thiazinan-4-yl)-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone
Canonical SMILES
CC1=C(C(=NO1)C2=CC=C(C=C2)F)COC3=NC=C(C=C3)C(=O)N4CCS(=O)(=O)CC4
InChI
InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3
InChIKey
VCGRFBXVSFAGGA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
57336276
CAS Number
1159600-41-5
UNII
788PET5SUA
DrugBank ID
DB11877
TTD ID
D0CH7C
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA(A) receptor alpha-5 (GABRA5) TTNZPQ1 GBRA5_HUMAN Modulator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Alzheimer disease
ICD Disease Classification 8A20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
GABA(A) receptor alpha-5 (GABRA5) DTT GABRA5 3.15E-09 -0.68 -0.61
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02484703) A Study of RG1662 in Down Syndrome Among Children 6 to 11 Years of Age.
2 Antibodies and venom peptides: new modalities for ion channels. Nat Rev Drug Discov. 2019 May;18(5):339-357.
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)