Details of the Drug

General Information of Drug (ID: DM4K085)

Drug Name

AZD-3778

Synonyms

AZD-3778; CHEMBL2158814; SCHEMBL5418656; GTPL7679; AZD3778; QVLZVRFIGXNZMN-UHFFFAOYSA-N; AZD 3778; BDBM50394155; N-[[4-(3,4-Dichlorophenoxy)[1,4'-bipiperidin]-1'-yl]carbonyl]-4-methyl-benzenesulfonamide

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

526.5

Logarithm of the Partition Coefficient (xlogp)

5.1

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C24H29Cl2N3O4S
IUPAC Name: 4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)OC4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C24H29Cl2N3O4S/c1-17-2-5-21(6-3-17)34(31,32)27-24(30)29-12-8-18(9-13-29)28-14-10-19(11-15-28)33-20-4-7-22(25)23(26)16-20/h2-7,16,18-19H,8-15H2,1H3,(H,27,30)
InChIKey: QVLZVRFIGXNZMN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11753159
TTD ID: D09RGW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Chemokine receptor (CHR)	TTQR8Z6	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7679).
2	New Drugs and Targets for Asthma and COPD. Trevor T. Hansel, Peter J. Barnes. 2010. Page(304).