Details of the Drug

General Information of Drug (ID: DMK0T9E)

• Drug Name: SCHEMBL15295829
• Synonyms: SCHEMBL15295829
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 435.3
  Logarithm of the Partition Coefficient (xlogp); 5.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C19H20Cl2N6O2
  IUPAC Name: 1-(2,6-dichloropyridin-4-yl)-3-(3-methyl-4-propan-2-yl-1-prop-2-enylpyrazolo[3,4-b]pyridin-6-yl)oxyurea
  Canonical SMILES: CC1=NN(C2=C1C(=CC(=N2)ONC(=O)NC3=CC(=NC(=C3)Cl)Cl)C(C)C)CC=C
  InChI: InChI=1S/C19H20Cl2N6O2/c1-5-6-27-18-17(11(4)25-27)13(10(2)3)9-16(24-18)29-26-19(28)22-12-7-14(20)23-15(21)8-12/h5,7-10H,1,6H2,2-4H3,(H2,22,23,26,28)
  InChIKey: GSDSPSURUKLGBL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71738918
  TTD ID: D0J5YV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sphingosine-1-phosphate receptor 2 (S1PR2)	TTVSMOH	S1PR2_HUMAN	Inhibitor	[1]

References

• [1] Sphingosine 1-phosphate receptor antagonists. US9663511.