Details of the Drug

General Information of Drug (ID: DML3RSF)

• Drug Name: AZD1236
• Synonyms: (S)-5-(((4-((5-Chloropyridin-2-yl)oxy)piperidin-1-yl)sulfonyl)methyl)-5-methylimidazolidine-2,4-dione; 459814-90-5; AZD1236; AZD-1236; UNII-B4OQY51WZS; B4OQY51WZS; (S)-5-(((4-((5-Chloropyridin-2-yl)oxy)piperidin-1-yl)-sulfonyl)methyl)-5-methylimidazolidine-2,4-dione; SCHEMBL942315; GTPL7844; DTXSID30647184; SFJFBTPHDHUUPU-OAHLLOKOSA-N; AZD 1236; 6326AB; ZINC59688588; AKOS016011525; DB11961; AX8246058; KB-211575; AJ-113592; Piperidine, 4-((5-chloro-2-pyridinyl)oxy)-1-((((4S)-4-methyl-2,5-dioxo-4-imidazolidinyl)methyl)sulfonyl)

Indication

Disease Entry	ICD 11	Status	REF
Chronic obstructive pulmonary disease	CA22	Discontinued in Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 402.9
  Logarithm of the Partition Coefficient (xlogp); 0.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C15H19ClN4O5S
  IUPAC Name: (5S)-5-[[4-(5-chloropyridin-2-yl)oxypiperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
  Canonical SMILES: C[C@]1(C(=O)NC(=O)N1)CS(=O)(=O)N2CCC(CC2)OC3=NC=C(C=C3)Cl
  InChI: InChI=1S/C15H19ClN4O5S/c1-15(13(21)18-14(22)19-15)9-26(23,24)20-6-4-11(5-7-20)25-12-3-2-10(16)8-17-12/h2-3,8,11H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-/m1/s1
  InChIKey: SFJFBTPHDHUUPU-OAHLLOKOSA-N
• Cross-matching ID:
  PubChem CID: 24751752
  CAS Number: 459814-89-2
  UNII: B4OQY51WZS
  DrugBank ID: DB11961
  TTD ID: D0E5YG
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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-12 (MMP-12)	TTXZ0KQ	MMP12_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Chronic obstructive pulmonary disease
• ICD Disease Classification: CA22

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Matrix metalloproteinase-12 (MMP-12)	DTT	MMP12	1.22E-106	5.08	3.56

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: 7844).
• [2] Clinical pipeline report, company report or official report of AstraZeneca (2009).