Details of the Drug

General Information of Drug (ID: DM31VNC)

Drug Name

DS-8895

Indication

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

Drug Type

Antibody

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

172.57

Topological Polar Surface Area (xlogp)

2

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C6H5ClN2O2
IUPAC Name: 5-chloro-3-methyl-2-nitropyridine
Canonical SMILES: CC1=CC(=CN=C1[N+](=O)[O-])Cl
InChI: InChI=1S/C6H5ClN2O2/c1-4-2-5(7)3-8-6(4)9(10)11/h2-3H,1H3
InChIKey: JQKDQMHAQKONAB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 21894761
TTD ID: D03YBJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ephrin type-A receptor 2 (EPHA2)	TTRJB2G	EPHA2_HUMAN	Not Available	[2], [3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT02252211) Safety and Bio-Imaging Trial of DS-8895a in Patients With Advanced EphA2 Positive Cancers. U.S. National Institutes of Health.
2	Clinical pipeline report, company report or official report of Daiichi Sankyo.
3	Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1128-36.
4	ClinicalTrials.gov (NCT02575261) CAR-T Cell Immunotherapy for EphA2 Positive Malignant Glioma Patients
5	MMAE Delivery Using the Bicycle Toxin Conjugate BT5528. Mol Cancer Ther. 2020 Jul;19(7):1385-1394.
6	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1822).
7	Clinical and biological impact of EphA2 overexpression and angiogenesis in endometrial cancer. Cancer Biol Ther. 2010 Dec 15;10(12):1306-14.
8	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
9	Amino acid conjugates of lithocholic acid as antagonists of the EphA2 receptor. J Med Chem. 2013 Apr 11;56(7):2936-47.
10	Structure-based optimization of potent and selective inhibitors of the tyrosine kinase erythropoietin producing human hepatocellular carcinoma receptor B4 (EphB4). J Med Chem. 2009 Oct 22;52(20):6433-46.
11	Discovery of 5-(arenethynyl) hetero-monocyclic derivatives as potent inhibitors of BCR-ABL including the T315I gatekeeper mutant. Bioorg Med Chem Lett. 2011 Jun 15;21(12):3743-8.