Details of the Drug

General Information of Drug (ID: DMXJ54Z)

Drug Name
DW-908e
Synonyms Allergy therapeutics, Daiichi; Asthma therapeutics, Daiichi; PS-181895; PS-460644; PS-489655; PS-969819; Asthma/allergy therapeutics, Daiichi
Indication
Disease Entry ICD 11 Status REF
Allergy 4A80-4A85 Discontinued in Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 638.5
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Chemical Identifiers
Formula
C31H34Cl2N3NaO6
IUPAC Name
sodium;4-[[(2S,4S)-1-[2-[2,5-dichloro-4-[(1-methylindole-3-carbonyl)amino]phenyl]acetyl]-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
Canonical SMILES
CN1C=C(C2=CC=CC=C21)C(=O)NC3=C(C=C(C(=C3)Cl)CC(=O)N4C[C@H](C[C@H]4COC5CCC(CC5)C(=O)[O-])OC)Cl.[Na+]
InChI
InChI=1S/C31H35Cl2N3O6.Na/c1-35-16-24(23-5-3-4-6-28(23)35)30(38)34-27-14-25(32)19(11-26(27)33)12-29(37)36-15-22(41-2)13-20(36)17-42-21-9-7-18(8-10-21)31(39)40;/h3-6,11,14,16,18,20-22H,7-10,12-13,15,17H2,1-2H3,(H,34,38)(H,39,40);/q;+1/p-1/t18?,20-,21?,22-;/m0./s1
InChIKey
YWWOTADRIASLGN-VMAKYHEJSA-M
Cross-matching ID
PubChem CID
23704320
TTD ID
D0I5PM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Integrin alpha-5 (ITGA5) TTHIZP9 ITA5_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) 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 800020029)
2 WO patent application no. 2008,1439,28, Methods and compositions for treating skin conditions.