Details of the Drug

General Information of Drug (ID: DMADEHZ)

Drug Name
LY2880070
Synonyms
1375637-35-6; SCHEMBL15124196; BCP32047; EX-A3339; ZINC199531075; LY 2880070 pound>>LY-2880070; (R)-[5-(2-Methoxy-6-methyl-pyridin-3-yl)-2H-pyrazol-3-yl]-[6-(piperidin-3-yloxy) -pyrazin-2-yl]-amine; (R)-[5-(2-methoxy-6-methyl-pyridin-3-yl)-2H-pyrazol-3-yl]-[6-(piperidin-3-yloxy)-pyrazin-2-yl]-amine; N-[5-(2-methoxy-6-methylpyridin-3-yl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1/2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 381.4
Topological Polar Surface Area (xlogp) 2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C19H23N7O2
IUPAC Name
N-[5-(2-methoxy-6-methylpyridin-3-yl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine
Canonical SMILES
CC1=NC(=C(C=C1)C2=CC(=NN2)NC3=CN=CC(=N3)O[C@@H]4CCCNC4)OC
InChI
InChI=1S/C19H23N7O2/c1-12-5-6-14(19(22-12)27-2)15-8-16(26-25-15)23-17-10-21-11-18(24-17)28-13-4-3-7-20-9-13/h5-6,8,10-11,13,20H,3-4,7,9H2,1-2H3,(H2,23,24,25,26)/t13-/m1/s1
InChIKey
LAEFIEWPUJMANC-CYBMUJFWSA-N
Cross-matching ID
PubChem CID
56968075
TTD ID
DXJ4B7

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 [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Solid tumour/cancer
ICD Disease Classification 2A00-2F9Z
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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02632448) A Study of LY2880070 in Participants With Advanced or Metastatic Cancer. U.S. National Institutes of Health.
2 A phase Ib study of oral Chk1 inhibitor LY2880070 in combination with gemcitabine in patients with advanced or metastatic cancer. Journal of Clinical Oncology 38, no. 15_suppl (May 20, 2020) 3581-3581.
3 Characterization and preclinical development of LY2603618: a selective and potent Chk1 inhibitor. Invest New Drugs. 2014 Apr;32(2):213-26.
4 Characterization of an inhibitory dynamic pharmacophore for the ERCC1-XPA interaction using a combined molecular dynamics and virtual screening app... J Mol Graph Model. 2009 Sep;28(2):113-30.
5 Targeting the replication checkpoint using SCH 900776, a potent and functionally selective CHK1 inhibitor identified via high content screening. Mol Cancer Ther. 2011 Apr;10(4):591-602.
6 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
7 National Cancer Institute Drug Dictionary (drug id 730054).
8 Quantitative assessment of BCL-2:BIM complexes as a pharmacodynamic marker for venetoclax (ABT-199).
9 Clinical pipeline report, company report or official report of AstraZeneca (2009).
10 Chk1 Inhibitor MK-8776 Restores the Sensitivity of Chemotherapeutics in P-glycoprotein Overexpressing Cancer Cells. Int J Mol Sci. 2019 Aug 22;20(17):4095.
11 Cyclin-dependent kinase inhibitors for cancer therapy: a patent review (2009 - 2014).Expert Opin Ther Pat. 2015;25(9):953-70.
12 Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.