Details of the Drug

General Information of Drug (ID: DMT80IF)

• Drug Name: 3570-0208
• Synonyms: [6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate; UNM000003536701; AC1MJIQD; BAS 00135206; Oprea1_681432; Oprea1_151337; MLS001242385; GTPL5828; CHEMBL1329101; cid_3092570; CHEBI:92290; BDBM40404; ML048; HMS2231A24; HMS3372G14; ZINC4247033; STK922580; AKOS000525202; MCULE-3542011334; SMR000686159; ST50330694; EU-0040874; SR-01000456743; SR-01000456743-1; 3570-0208 [PMID:19807662]; 2-methyl-3-(1-methyl-2-benzimidazolyl)-6-ethyl-7-acetoxychromone

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); 376.4
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H20N2O4
  IUPAC Name: [6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate
  Canonical SMILES: CCC1=CC2=C(C=C1OC(=O)C)OC(=C(C2=O)C3=NC4=CC=CC=C4N3C)C
  InChI: InChI=1S/C22H20N2O4/c1-5-14-10-15-19(11-18(14)28-13(3)25)27-12(2)20(21(15)26)22-23-16-8-6-7-9-17(16)24(22)4/h6-11H,5H2,1-4H3
  InChIKey: HTTVYKXJCQENKW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3092570
  ChEBI ID: CHEBI:92290
  TTD ID: D0M9RF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
N-formyl peptide receptor (FPR1)	TT5Y4EM	FPR1_HUMAN	Antagonist	[1]

References

• [1] Discovery of selective probes and antagonists for G-protein-coupled receptors FPR/FPRL1 and GPR30. Curr Top Med Chem. 2009;9(13):1227-36.