Details of the Drug

General Information of Drug (ID: DMXD1IN)

• Drug Name: CX-5011
• Synonyms: 1333382-30-1; UNII-2F5JG09KS6; CX-5011; 2F5JG09KS6; sodium 5-(3-ethynylphenylamino)pyrimido[4,5-c]quinoline-8-carboxylate; AOB1816; AKOS027422619; Pyrimido(4,5-C)quinoline-8-carboxylic acid, 5-((3-ethynylphenyl)amino)-, sodium salt (1:1)

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 362.3
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 4
  Hydrogen Bond Donor Count; 1
  Hydrogen Bond Acceptor Count; 6
• Chemical Identifiers:
  Formula: C20H11N4NaO2
  IUPAC Name: sodium;5-(3-ethynylanilino)pyrimido[4,5-c]quinoline-8-carboxylate
  Canonical SMILES: C#CC1=CC(=CC=C1)NC2=NC3=C(C=CC(=C3)C(=O)[O-])C4=CN=CN=C42.[Na+]
  InChI: InChI=1S/C20H12N4O2.Na/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19;/h1,3-11H,(H,23,24)(H,25,26);/q;+1/p-1
  InChIKey: FSIFELDKZUCPMJ-UHFFFAOYSA-M
• Cross-matching ID:
  PubChem CID: 70702100
  CAS Number: 1333382-30-1
  TTD ID: D0CR9I

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Casein kinase II alpha (CSNK2A1)	TTER6YH	CSK21_HUMAN	Inhibitor	[1]

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
Casein kinase II alpha (CSNK2A1)	DTT	CSNK2A1	6.82E-04	0.29	2.43

References

• [1] 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: 1549).