Details of the Drug

General Information of Drug (ID: DMQLHE8)

Drug Name
SB-410220
Synonyms SB-410220; CHEMBL522758; GTPL1705; SCHEMBL3101355; 1-(5,8-difluoroquinolin-4-yl)-3-(4-dimethylaminophenyl)urea; BDBM50423650
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 342.3
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H16F2N4O
IUPAC Name
1-(5,8-difluoroquinolin-4-yl)-3-[4-(dimethylamino)phenyl]urea
Canonical SMILES
CN(C)C1=CC=C(C=C1)NC(=O)NC2=CC=NC3=C(C=CC(=C23)F)F
InChI
InChI=1S/C18H16F2N4O/c1-24(2)12-5-3-11(4-6-12)22-18(25)23-15-9-10-21-17-14(20)8-7-13(19)16(15)17/h3-10H,1-2H3,(H2,21,22,23,25)
InChIKey
AZFKSWSBVCFBCG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10065953
ChEBI ID
CHEMBL522758
TTD ID
D0KP3K
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Orexin receptor type 1 (HCRTR1) TT60Q8D OX1R_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1705).
2 Characterisation of the binding of [3H]-SB-674042, a novel nonpeptide antagonist, to the human orexin-1 receptor. Br J Pharmacol. 2004 Jan;141(2):340-6.