Details of the Drug

General Information of Drug (ID: DMD9KYF)

• Drug Name: LY3023414

Indication

Disease Entry	ICD 11	Status	REF
Prostate cancer	2C82.0	Phase 2	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 2	[2]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 406.5
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C23H26N4O3
  IUPAC Name: 8-[5-(2-hydroxypropan-2-yl)pyridin-3-yl]-1-[(2S)-2-methoxypropyl]-3-methylimidazo[4,5-c]quinolin-2-one
  Canonical SMILES: C[C@@H](CN1C2=C3C=C(C=CC3=NC=C2N(C1=O)C)C4=CC(=CN=C4)C(C)(C)O)OC
  InChI: InChI=1S/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1
  InChIKey: ACCFLVVUVBJNGT-AWEZNQCLSA-N
• Cross-matching ID:
  PubChem CID: 57519748
  CAS Number: 1386874-06-1
  UNII: C88817F47Y
  DrugBank ID: DB12167
  TTD ID: D0H1WC
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
PI3-kinase alpha (PIK3CA)	TTEUNMR	PK3CA_HUMAN	Modulator	[3]
Serine/threonine-protein kinase mTOR (mTOR)	TTCJG29	MTOR_HUMAN	Modulator	[3]

Molecular Expression Atlas of This Drug

• The Studied Disease: Prostate cancer
• ICD Disease Classification: 2C82.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Serine/threonine-protein kinase mTOR (mTOR)	DTT	MTOR	2.16E-05	-0.44	-2.3

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [2] ClinicalTrials.gov (NCT02549989) Study of LY3023414 for the Treatment of Recurrent.
• [3] Company report (Lilly)