Details of the Drug

General Information of Drug (ID: DMWCBG8)

• Drug Name: SR2211
• Synonyms: 1359164-11-6; sr-2211; SR 2211; CHEMBL2137199; 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol; 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol; 2-Fluoro-4'-[[4-(4-pyridinylmethyl)-1-piperazinyl]methyl]-; A,; A-bis(trifluoromethyl)-[1,1'-biphenyl]-4-methanol; 2-fluoro-4'-[[4-(4-pyridinylmethyl)-1-piperazinyl]methyl]-aa-bis(trifluoromethyl)-[1,1'-biphenyl]-4-methanol; MLS004256334; SCHEMBL13974431; C26H24F7N3O; GTPL10144; AOB1053; SYN5040; ML310; BDBM50005410; ZINC95571083; AKOS024458387; NCGC00379220-06; AS-16406; HY-16998; SMR003081219; B5743; CS-0013508; J3.525.407B; SR-03000002211; SR-03000002211-1; 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-4'-((4-(pyridin-4-ylmethyl)piperazin-1-yl)methyl)-[1,1'-biphenyl]-4-yl)propan-2-ol; 2-Fluoro-4'-[[4-(4-pyridinylmethyl)-1-piperazinyl]methyl]-?,?-bis(trifluoromethyl)-[1,1'-biphenyl]-4-methanol; 2-Fluoro-4'-[[4-(4-pyridinylmethyl)-1-piperazinyl]methyl]-a,a-bis(trifluoromethyl)-[1,1'-biphenyl]-4-methanol; 2-Fluoro-4'-[[4-(4-pyridinylMethyl)-1-piperazinyl]Methyl]-alpha,alpha-bis(trifluoroMethyl)-[1,1'-biphenyl]-4-Methanol; L7P

Indication

Disease Entry	ICD 11	Status	REF
Autoimmune disease	4A40-4A45	Preclinical	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 527.5
  Logarithm of the Partition Coefficient (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C26H24F7N3O
  IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
  Canonical SMILES: C1CN(CCN1CC2=CC=C(C=C2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)F)CC4=CC=NC=C4
  InChI: InChI=1S/C26H24F7N3O/c27-23-15-21(24(37,25(28,29)30)26(31,32)33)5-6-22(23)20-3-1-18(2-4-20)16-35-11-13-36(14-12-35)17-19-7-9-34-10-8-19/h1-10,15,37H,11-14,16-17H2
  InChIKey: KVHKWAZUPPBMLL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 51035449
  TTD ID: DE7BZ4

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] Circadian rhythm as a therapeutic target. Nat Rev Drug Discov. 2021 Apr;20(4):287-307.