Details of the Drug

General Information of Drug (ID: DMRVMA5)

• Drug Name: NSC-66811
• Synonyms: NSC 66811; 6964-62-1; NSC-66811; 2-METHYL-7-[PHENYL(PHENYLAMINO)METHYL]-8-QUINOLINOL; 7-[anilino(phenyl)methyl]-2-methylquinolin-8-ol; 7-(Anilino(phenyl)-methyl)-2-methyl-8-quinolinol; 2-methyl-7-(phenyl(phenylamino)methyl)quinolin-8-ol; 8-Hydroxy-2-methyl-7-[phenyl(phenylamino)methyl]quinoline; NSC66811; AC1L6NIN; AC1Q79MP; 7-(anilino(phenyl)methyl)-2-methyl-8-quinolinol; SCHEMBL1241576; CHEMBL210778; BDBM31206; CTK5D0724; DTXSID30290119; MolPort-008-431-978; BCP07490; 2152AH; AKOS003020553; AKOS016050521; AK260645; M2390

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 340.4
  Logarithm of the Partition Coefficient (xlogp); 5.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C23H20N2O
  IUPAC Name: 7-[anilino(phenyl)methyl]-2-methylquinolin-8-ol
  Canonical SMILES: CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC=CC=C3)NC4=CC=CC=C4
  InChI: InChI=1S/C23H20N2O/c1-16-12-13-18-14-15-20(23(26)22(18)24-16)21(17-8-4-2-5-9-17)25-19-10-6-3-7-11-19/h2-15,21,25-26H,1H3
  InChIKey: WEENRMPCSWFMTE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 248986
  CAS Number: 6964-62-1
  TTD ID: D0C0TN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mdm2 messenger RNA (MDM2 mRNA)	TT9TE0O	MDM2_HUMAN	Inhibitor	[1]

References

• [1] Discovery of a nanomolar inhibitor of the human murine double minute 2 (MDM2)-p53 interaction through an integrated, virtual database screening str... J Med Chem. 2006 Jun 29;49(13):3759-62.