Details of the Drug

General Information of Drug (ID: DM4XMF7)

• Drug Name: LY2606368
• Synonyms: prexasertib; Prexasertib; 1234015-52-1; UNII-820NH671E6; LY-2606368; 820NH671E6; Prexasertib [USAN]; 5-((5-(2-(3-aminopropoxy)-6-methoxyphenyl)-1H-pyrazol-3-yl)amino)pyrazine-2-carbonitrile; 5-({5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl}amino)pyrazine-2-carbonitrile; 5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile; SCHEMBL1975451; GTPL9549; SCHEMBL19457660; SCHEMBL18989301; CHEMBL3544911; EX-A758; DOTGPNHGTYJDEP-UHFFFAOYSA-N; AOB87325; ZINC95837013

Indication

Disease Entry	ICD 11	Status	REF
Ovarian cancer	2C73	Phase 2	[1]
Small-cell lung cancer	2C25.Y	Phase 2	[1]
Head and neck cancer	2D42	Phase 1	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 1	[2]
Squamous cell anal carcinoma	2C00.3	Phase 1	[3]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 365.4
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C18H19N7O2
  IUPAC Name: 5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
  Canonical SMILES: COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N
  InChI: InChI=1S/C18H19N7O2/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25)
  InChIKey: DOTGPNHGTYJDEP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46700756
  ChEBI ID: CHEMBL3544911
  CAS Number: 1234015-52-1
  UNII: 820NH671E6
  DrugBank ID: DB12008
  TTD ID: D08UUL
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug Pharmacogenomic Perturbation (DPP)NEW: Click to Jump to the Detailed DPP Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug
• 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
Checkpoint kinase-1 (CHK1)	TTTU902	CHK1_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Ovarian cancer
• ICD Disease Classification: 2C73

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Checkpoint kinase-1 (CHK1)	DTT	CHEK1	7.22E-191	1.43	4.74

References

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