Details of the Drug

General Information of Drug (ID: DM3Z07E)

• Drug Name: TP-1287
• Synonyms: UNII-7MPP85IIJ3; 7MPP85IIJ3; CHEMBL4594423; SCHEMBL18251861; 2044686-42-0; 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5-hydroxy-8-((3S,4R)-3-hydroxy-1-methyl-4-piperidinyl)-7-(phosphonooxy)-

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 481.8
  Logarithm of the Partition Coefficient (xlogp); -0.3
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C21H21ClNO8P
  IUPAC Name: [2-(2-chlorophenyl)-5-hydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4-oxochromen-7-yl] dihydrogen phosphate
  Canonical SMILES: CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)OP(=O)(O)O
  InChI: InChI=1S/C21H21ClNO8P/c1-23-7-6-12(16(26)10-23)19-18(31-32(27,28)29)9-15(25)20-14(24)8-17(30-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,16,25-26H,6-7,10H2,1H3,(H2,27,28,29)/t12-,16+/m0/s1
  InChIKey: YRNFLVUMZIRYKY-BLLLJJGKSA-N
• Cross-matching ID:
  PubChem CID: 124083048
  CAS Number: 2044686-42-0
  TTD ID: D2GJ4P

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin-dependent kinase 9 (CDK9)	TT1LVF2	CDK9_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
Cyclin-dependent kinase 9 (CDK9)	DTT	CDK9	4.38E-01	-0.04	-0.1

References

• [1] ClinicalTrials.gov (NCT03604783) Phase 1, First-in-human Study of Oral TP-1287 in Patients With Advanced Solid Tumors. U.S. National Institutes of Health.
• [2] Clinical pipeline report, company report or official report of Sumitomo Dainippon Pharma.