Details of the Drug

General Information of Drug (ID: DMW43DL)

• Drug Name: TAK-828
• Synonyms: ICMFYVOUDGRBLG-NJMNTPMDSA-N; TAK828F; GTPL9867; TAK-828F; SCHEMBL17390967; SCHEMBL17390969; SCHEMBL17391123; ICMFYVOUDGRBLG-VFHHBZAHSA-N; ICMFYVOUDGRBLG-XVNUGVHUSA-N; compound 10 [PMID: 29510038]; E3V; {cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid; (cis-3-(((5R)-5-((7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl)-2-methoxy-7,8-dihydro-1,6-naphthyridin-6 (5H)-yl)carbonyl)cyclobutyl)acetic acid; (cis-3-(((5R)-5-((7-fluoro-1,1-dimethyl-2

Indication

Disease Entry	ICD 11	Status	REF
Crohn disease	DD70	Phase 1	[1]

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 509.6
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C28H32FN3O5
  IUPAC Name: 2-[3-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclobutyl]acetic acid
  Canonical SMILES: CC1(CCC2=C1C(=CC(=C2)NC(=O)[C@H]3C4=C(CCN3C(=O)C5CC(C5)CC(=O)O)N=C(C=C4)OC)F)C
  InChI: InChI=1S/C28H32FN3O5/c1-28(2)8-6-16-13-18(14-20(29)24(16)28)30-26(35)25-19-4-5-22(37-3)31-21(19)7-9-32(25)27(36)17-10-15(11-17)12-23(33)34/h4-5,13-15,17,25H,6-12H2,1-3H3,(H,30,35)(H,33,34)/t15?,17?,25-/m1/s1
  InChIKey: ICMFYVOUDGRBLG-NJMNTPMDSA-N
• Cross-matching ID:
  PubChem CID: 118622692
  TTD ID: D0D7CH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nuclear receptor ROR-gamma (RORG)	TTGV6LY	RORG_HUMAN	Agonist	[1]

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)