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]
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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
DrugBank ID: DB12644
TTD ID: D09GPB

Repurposed Drugs (RPD)

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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).