Details of the Drug

General Information of Drug (ID: DMW1PL7)

• Drug Name: NG7
• Synonyms: 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide; 3-(2-(cyclopropanecarboxamido)thiazolo[5,4-b]pyridin-5-yl)-N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide; HG-7-85-01; MLS003230942; SCHEMBL1696179; CHEMBL2148124; BDBM124970; SMR001913507; 1258391-13-7; US8765747, 2; NG7
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 608.7
  Logarithm of the Partition Coefficient (xlogp); 5
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C31H31F3N6O2S
  IUPAC Name: 3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
  Canonical SMILES: CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C4=NC5=C(C=C4)N=C(S5)NC(=O)C6CC6)C(F)(F)F
  InChI: InChI=1S/C31H31F3N6O2S/c1-2-39-12-14-40(15-13-39)18-22-8-9-23(17-24(22)31(32,33)34)35-28(42)21-5-3-4-20(16-21)25-10-11-26-29(36-25)43-30(37-26)38-27(41)19-6-7-19/h3-5,8-11,16-17,19H,2,6-7,12-15,18H2,1H3,(H,35,42)(H,37,38,41)
  InChIKey: VTWWRKFUHCSCEW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 51359962
  TTD ID: D0GT9T

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Epithelial discoidin domain receptor 1 (DDR1)	TTI1FPZ	DDR1_HUMAN	Inhibitor	[1]

References

• [1] Fused 2-aminothiazole compounds. US8765747.