UCB35625   Click here for help

GtoPdb Ligand ID: 3536

Synonyms: UCB 35625 | UCB-35625
Compound class: Synthetic organic
Comment: UCB35625 is a potent and selective dual antagonist of the chemokine receptors CCR1 and CCR3 [2]. May be used experimentally as the iodide salt.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 38.33
Molecular weight 515.22
XLogP 7.25
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1
Isomeric SMILES CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1
InChI InChI=1S/C29H36Cl2N2O2/c1-2-33(19-20-7-5-3-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3/p+1
InChI Key ZTXGBIXSMSZDOC-UHFFFAOYSA-O
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(cycloheptylmethyl)-4-(2,7-dichloro-9H-xanthene-9-amido)-1-ethylpiperidin-1-ium
Synonyms Click here for help
UCB 35625 | UCB-35625
Database Links Click here for help
BindingDB Ligand 50398350
ChEMBL Ligand CHEMBL1186993
GtoPdb PubChem SID 178100515
PubChem CID 44560289
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