Details of the Drug

General Information of Drug (ID: DMHP6OY)

Drug Name

AZD2066

Synonyms

AZD-2066; UNII-MQ908Y1ZB2; MQ908Y1ZB2; 934282-55-0; AZD 2066; AZD2066; SXWHYTICXCLKDG-GFCCVEGCSA-N; SCHEMBL1848325; CHEMBL3545164; MolPort-042-624-538; ZINC34885049; AKOS027470229; DB12644; Pyridine, 4-(5-((1R)-1-(5-(3-chlorophenyl)-3-isoxazolyl)ethoxy)-4-methyl-4H-1,2,4-triazol-3-yl)-; J3.560.339E; 5-(3-chlorophenyl)-3-[(1r)-1-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]oxy]ethyl]isoxazole; 4-[5-[(1R)-1-[5-(3-Chlorophenyl)-3-isoxazolyl]ethoxy]-4-methyl-4H-1,2,4-triazol-3-yl]pyridine

Indication

Disease Entry	ICD 11	Status	REF
Chronic neuropathic pain	MG30.5	Discontinued in Phase 2	[1]
Gastroesophageal reflux disease	DA22.Z	Discontinued in Phase 2	[1]
Major depressive disorder	6A70.3	Discontinued in Phase 2	[1]
------------------------------------------------------------------------------------

Therapeutic Class

Analgesics

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

381.8

Logarithm of the Partition Coefficient (xlogp)

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C19H16ClN5O2
IUPAC Name: 5-(3-chlorophenyl)-3-[(1R)-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2-oxazole
Canonical SMILES: C[C@H](C1=NOC(=C1)C2=CC(=CC=C2)Cl)OC3=NN=C(N3C)C4=CC=NC=C4
InChI: InChI=1S/C19H16ClN5O2/c1-12(16-11-17(27-24-16)14-4-3-5-15(20)10-14)26-19-23-22-18(25(19)2)13-6-8-21-9-7-13/h3-12H,1-2H3/t12-/m1/s1
InChIKey: SXWHYTICXCLKDG-GFCCVEGCSA-N

Cross-matching ID

PubChem CID: 16041426
CAS Number: 934282-55-0
UNII: MQ908Y1ZB2
DrugBank ID: DB17078
TTD ID: D09GPB

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
Metabotropic glutamate receptor 5 (mGluR5)	TTHS256	GRM5_HUMAN	Antagonist	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800027605)
2	Clinical pipeline report, company report or official report of AstraZeneca (2009).