Details of the Drug

General Information of Drug (ID: DMA1MK5)

• Drug Name: CYC-800

Indication

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

• Therapeutic Class: Anticancer Agents
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight; 424.4
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 3
  Hydrogen Bond Donor Count; 7
  Hydrogen Bond Acceptor Count; 9
• Chemical Identifiers:
  Formula: C21H25FO8
  IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol;(2R)-2-(3-fluoro-4-phenylphenyl)propanoic acid
  Canonical SMILES: C[C@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O.C1(C(C(C(C(C1O)O)O)O)O)O
  InChI: InChI=1S/C15H13FO2.C6H12O6/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;7-1-2(8)4(10)6(12)5(11)3(1)9/h2-10H,1H3,(H,17,18);1-12H/t10-;/m1./s1
  InChIKey: XXWQLQXGYRVJNJ-HNCPQSOCSA-N
• Cross-matching ID:
  PubChem CID: 24759764
  TTD ID: D0WZ4J

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Polo-like kinase 1 (PLK1)	TTIYVQP	PLK1_HUMAN	Inhibitor	[2]

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
Polo-like kinase 1 (PLK1)	DTT	PLK1	4.16E-07	-0.38	-0.72

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800019949)
• [2] Polo-like kinase (PLK) inhibitors in preclinical and early clinical development in oncology. Oncologist. 2009 Jun;14(6):559-70.