Details of the Drug

General Information of Drug (ID: DMCAKMV)

• Drug Name: AZD5985

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 808.8
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 10
  Hydrogen Bond Donor Count; 5
  Hydrogen Bond Acceptor Count; 11
• Chemical Identifiers:
  Formula: C38H43Cl2N9O5S
  IUPAC Name: 3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one;N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
  Canonical SMILES: CCC1=C(NC(=O)C(=C1)NCC2=NC3=C(C=CC(=C3O2)Cl)Cl)C.CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C
  InChI: InChI=1S/C22H28N6O3S.C16H15Cl2N3O2/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-8,13-15,24-26H,9-12H2,1-3H3;4-6,19H,3,7H2,1-2H3,(H,20,22)
  InChIKey: XOJHGEHJHFRZRW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9811072
  TTD ID: D01RVS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin D2 receptor 2 (PTGDR2)	TTQDMX5	PD2R2_HUMAN	Antagonist	[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
Prostaglandin D2 receptor 2 (PTGDR2)	DTT	PTGDR2	6.11E-02	-0.15	-0.25

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 800029299)
• [2] Clinical pipeline report, company report or official report of AstraZeneca (2009).