General Information of Drug (ID: DMK6SMW)

Drug Name
KF24345
Synonyms KF-24345; KF 24345
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): 1 Molecular Weight (mw) 574.7
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C31H38N6O5
IUPAC Name
3-[1-(6,7-diethoxy-2-morpholin-4-ylquinazolin-4-yl)piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione
Canonical SMILES
CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCOCC3)N4CCC(CC4)N5C(=O)C6=C(C=CC(=C6)C)N(C5=O)C)OCC
InChI
InChI=1S/C31H38N6O5/c1-5-41-26-18-22-24(19-27(26)42-6-2)32-30(36-13-15-40-16-14-36)33-28(22)35-11-9-21(10-12-35)37-29(38)23-17-20(3)7-8-25(23)34(4)31(37)39/h7-8,17-19,21H,5-6,9-16H2,1-4H3
InChIKey
MXOWYPVUVPQDNZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9938824
TTD ID
D08GKT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Solute carrier family 29 member 1 (SLC29A1) TTLXAKE S29A1_HUMAN Inhibitor [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: 4734).
2 Interaction of the novel adenosine uptake inhibitor 3-[1-(6,7-diethoxy-2-morpholinoquinazolin-4-yl)piperidin-4-yl]-1,6-dimethyl-2,4(1H,3H)-quinazol... J Pharmacol Exp Ther. 2004 Mar;308(3):1083-93.