Details of the Drug

General Information of Drug (ID: DMFGNB4)

• Drug Name: LY-2623091
• Synonyms: Chronic renal disease therapy, Eli Lilly

Indication

Disease Entry	ICD 11	Status	REF
Chronic kidney disease	GB61	Phase 2	[1]

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 527.6
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C30H30FN5O3
  IUPAC Name: [5-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1-[(2R)-1-morpholin-4-ylpropan-2-yl]benzimidazol-2-yl]urea
  Canonical SMILES: C[C@H](CN1CCOCC1)N2C3=C(C=C(C=C3)/C=C\\4/C5=C(C=C(C=C5)F)OCC6=CC=CC=C64)N=C2NC(=O)N
  InChI: InChI=1S/C30H30FN5O3/c1-19(17-35-10-12-38-13-11-35)36-27-9-6-20(15-26(27)33-30(36)34-29(32)37)14-25-23-5-3-2-4-21(23)18-39-28-16-22(31)7-8-24(25)28/h2-9,14-16,19H,10-13,17-18H2,1H3,(H3,32,33,34,37)/b25-14+/t19-/m1/s1
  InChIKey: YPCLDHGBEKZGEB-RUDKWAFVSA-N
• Cross-matching ID:
  PubChem CID: 42636651
  CAS Number: 1162264-07-4
  DrugBank ID: DB15367
  TTD ID: D05RZE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mineralocorticoid receptor (MR)	TT26PHO	MCR_HUMAN	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Chronic kidney disease
• ICD Disease Classification: GB61

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Mineralocorticoid receptor (MR)	DTT	NR3C2	7.31E-01	-5.31E-04	-1.53E-03

References

• [1] ClinicalTrials.gov (NCT02194465) A Study of LY2623091 in Participants With High Blood Pressure. U.S. National Institutes of Health.
• [2] Nonsteroidal antagonists of the mineralocorticoid receptor. Curr Opin Nephrol Hypertens. 2015 Sep;24(5):417-24.