Details of the Drug

General Information of Drug (ID: DM71BIC)

Drug Name
LOR-220
Synonyms ML-220; PI3K-targeting small molecules (cancer), Lorus; Phosphoinositide-3 kinase-targeting small molecules (cancer), Lorus
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 412.3
Logarithm of the Partition Coefficient (xlogp) 5.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C23H14BrN3
IUPAC Name
2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
Canonical SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2NC(=N4)C5=CNC6=C5C=C(C=C6)Br
InChI
InChI=1S/C23H14BrN3/c24-13-9-10-20-18(11-13)19(12-25-20)23-26-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)27-23/h1-12,25H,(H,26,27)
InChIKey
XFVVNPCUAYGFFE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11851317
TTD ID
D02WGD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
PI3-kinase gamma (PIK3CG) TTHBTOP PK3CG_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Bacterial infection
ICD Disease Classification 1A00-1C4Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
PI3-kinase gamma (PIK3CG) DTT PIK3CG 1.98E-01 -0.05 -0.55
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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. (Target id: 2155).