SB328437   Click here for help

GtoPdb Ligand ID: 3530

Synonyms: SB 328437 | SB-328437
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: SB328437 is a potent and selective CCR3 antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 101.22
Molecular weight 378.12
XLogP 4.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COC(=O)C(NC(=O)c1ccc2c(c1)cccc2)Cc1ccc(cc1)N(=O)=O
Isomeric SMILES COC(=O)[C@@H](NC(=O)c1ccc2c(c1)cccc2)Cc1ccc(cc1)N(=O)=O
InChI InChI=1S/C21H18N2O5/c1-28-21(25)19(12-14-6-10-18(11-7-14)23(26)27)22-20(24)17-9-8-15-4-2-3-5-16(15)13-17/h2-11,13,19H,12H2,1H3,(H,22,24)/t19-/m0/s1
InChI Key KOLBWAVLYDRUOC-IBGZPJMESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
methyl (2S)-2-(naphthalene-2-carbonylamino)-3-(4-nitrophenyl)propanoate
Synonyms Click here for help
SB 328437 | SB-328437
Database Links Click here for help
CAS Registry No. 247580-43-4 (source: Scifinder)
GtoPdb PubChem SID 178100509
PubChem CID 5311092
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