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
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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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
UCB 35625 | UCB-35625
Database Links Click here for help
Specialist databases
GPCRdb Ligand UCB35625
Other databases
BindingDB Ligand 50398350
ChEMBL Ligand CHEMBL1186993
GtoPdb PubChem SID 178100515
PubChem CID 44560289
Search Google for chemical match using the InChIKey ZTXGBIXSMSZDOC-UHFFFAOYSA-O
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UniChem Compound Search for chemical match using the InChIKey ZTXGBIXSMSZDOC-UHFFFAOYSA-O
UniChem Connectivity Search for chemical match using the InChIKey ZTXGBIXSMSZDOC-UHFFFAOYSA-O