Details of the Drug

General Information of Drug (ID: DMGN38F)

• Drug Name: CP-271485
• Synonyms: CP-271485; 2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL) ETHYL-4-(4'-ETHOXY [1,1'-BIPHENYL]-4-YL)-4-OXOBUTANOIC ACID; CP8; (6R)-4-BENZYL-6-(1-METHYL-2,2-DIOXIDO-1,3-DIHYDRO-2,1-BENZISOTHIAZOL-5-YL)MORPHOLIN-3-ONE; 1utt; AC1L9MIT; DB02118; CP 271485; (6S)-4-benzyl-6-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)morpholin-3-one; 3-Morpholinone, 6-(1,3-dihydro-1-methyl-2,1-benzisothiazol-5-yl)-4-(phenylmethyl)-, S,S-dioxid; 35580-46-2; (6S)-4-benzyl-6-(1-methyl-2,2-dioxido-1,3-dihydro-2,1-benzisothiazol-5-yl)morpholin-3-one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 372.4
  Logarithm of the Partition Coefficient (xlogp); 1.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C19H20N2O4S
  IUPAC Name: (6S)-4-benzyl-6-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)morpholin-3-one
  Canonical SMILES: CN1C2=C(CS1(=O)=O)C=C(C=C2)[C@H]3CN(C(=O)CO3)CC4=CC=CC=C4
  InChI: InChI=1S/C19H20N2O4S/c1-20-17-8-7-15(9-16(17)13-26(20,23)24)18-11-21(19(22)12-25-18)10-14-5-3-2-4-6-14/h2-9,18H,10-13H2,1H3/t18-/m1/s1
  InChIKey: CIUMOGWIMXNXSQ-GOSISDBHSA-N
• Cross-matching ID:
  PubChem CID: 448940
  CAS Number: 35580-46-2
  DrugBank ID: DB02118
  TTD ID: D0Y4GL

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	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

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] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.