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]
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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

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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.