Details of the Drug

General Information of Drug (ID: DMQB8C3)

Drug Name
UCB35625
Synonyms UCB 35625; UCB-35625
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): 2 Molecular Weight (mw) 502.5
Logarithm of the Partition Coefficient (xlogp) 7.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C28H35Cl2N2O2+
IUPAC Name
2,7-dichloro-N-[1-(cycloheptylmethyl)-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide
Canonical SMILES
C[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)CC5CCCCCC5
InChI
InChI=1S/C28H34Cl2N2O2/c1-32(18-19-6-4-2-3-5-7-19)14-12-22(13-15-32)31-28(33)27-23-16-20(29)8-10-25(23)34-26-11-9-21(30)17-24(26)27/h8-11,16-17,19,22,27H,2-7,12-15,18H2,1H3/p+1
InChIKey
AHYGVFSLUXGXSH-UHFFFAOYSA-O
Cross-matching ID
PubChem CID
458342
TTD ID
D0B3PC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
C-C chemokine receptor (CCR) TT8KLPT NOUNIPROTAC 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: 3536).
2 A small molecule antagonist of chemokine receptors CCR1 and CCR3. Potent inhibition of eosinophil function and CCR3-mediated HIV-1 entry. J Biol Chem. 2000 Aug 25;275(34):25985-92.