Details of the Drug

General Information of Drug (ID: DMGAKR9)

Drug Name
AVL-3288
Indication
Disease Entry ICD 11 Status REF
Cognitive impairment 6D71 Phase 1 [1]
Complete androgen insensitivity syndrome LD2A.4 Phase 1 [2]
Immune dysregulation 4A01.2 Phase 1 [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 388.2
Logarithm of the Partition Coefficient (xlogp) 5.2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H15Cl2N3O2
IUPAC Name
(Z)-3-(4-chloroanilino)-N-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide
Canonical SMILES
CC1=NOC(=C1)/C(=C/NC2=CC=C(C=C2)Cl)/C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,22H,1H3,(H,23,25)/b17-11-
InChIKey
VMAKIACTLSBBIY-BOPFTXTBSA-N
Cross-matching ID
PubChem CID
16005981
CAS Number
917837-54-8
UNII
VA80VAX4WF
DrugBank ID
DB18707
TTD ID
D0O3OI
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
Neuronal acetylcholine receptor alpha-7 (CHRNA7) TTLA931 ACHA7_HUMAN Modulator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01851603) Phase I Study to Evaluate the Safety and Pharmacokinetics of Oral Doses of Anvylic-3288 in Healthy Subjects. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Differential immediate and sustained memory enhancing effects of alpha7 nicotinic receptor agonists and allosteric modulators in rats. PLoS One. 2011;6(11):e27014.