Details of the Drug

General Information of Drug (ID: DMNOREK)

• Drug Name: ML315
• Synonyms: ML315; CHEMBL1885748; 1440251-53-5; MLS004256649; GTPL8162; KUC107550N; BDBM50435474; ML 315; AKOS032952995; KSC-14-101; NCGC00241342-01; NCGC00241342-02; SMR003081704; BRD-K98168317-001-01-9; 5-(benzo[d][1,3]dioxol-5-yl)-N-(3,5-dichlorobenzyl)pyrimidin-4-amine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 374.2
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C18H13Cl2N3O2
  IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N-[(3,5-dichlorophenyl)methyl]pyrimidin-4-amine
  Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C3=CN=CN=C3NCC4=CC(=CC(=C4)Cl)Cl
  InChI: InChI=1S/C18H13Cl2N3O2/c19-13-3-11(4-14(20)6-13)7-22-18-15(8-21-9-23-18)12-1-2-16-17(5-12)25-10-24-16/h1-6,8-9H,7,10H2,(H,21,22,23)
  InChIKey: JQSJAVBMIMDUFO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46926514
  ChEBI ID: CHEMBL1885748
  TTD ID: D0UI7U
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
CDC-like kinase 1 (CLK1)	TTE6YDG	CLK1_HUMAN	Inhibitor	[1]
CDC-like kinase 2 (CLK2)	TT85TPS	CLK2_HUMAN	Inhibitor	[1]
CDC-like kinase 4 (CLK4)	TT1RFQP	CLK4_HUMAN	Inhibitor	[1]
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (DYRK1A)	TTSBVFO	DYR1A_HUMAN	Inhibitor	[1]

References

• [1] Small-molecule pyrimidine inhibitors of the cdc2-like (Clk) and dual specificity tyrosine phosphorylation-regulated (Dyrk) kinases: development of chemical probe ML315. Bioorg Med Chem Lett. 2013 Jun15;23(12):3654-61.