UCM-05194   Click here for help

GtoPdb Ligand ID: 10587

Synonyms: (S)-17 [PMID: 31790581] | UCM05194
Compound class: Synthetic organic
Comment: UCM-05194 (compound (S)-17) is a LPA1 receptor agonist [1]. UCM-05194-mediated internalisation of the receptor induces functional inactivation of LPA1 cellular effects in vitro, which translates to attenuation of pain perception in an animal model of neuropathic pain. It is therefore a suitable tool for assessing LPA1-mediated effects in vitro and for evaluating the potential of in vivo LPA1 receptor modulation as a strategy for therapeutic intervention in neuropathic pain.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 16
Topological polar surface area 102.87
Molecular weight 464.1
XLogP 5.12
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES BrCC(OC(=O)CCCCCCCCCc1ccccc1)COP(=O)(O)O
Isomeric SMILES BrC[C@@H](OC(=O)CCCCCCCCCc1ccccc1)COP(=O)(O)O
InChI InChI=1S/C19H30BrO6P/c20-15-18(16-25-27(22,23)24)26-19(21)14-10-5-3-1-2-4-7-11-17-12-8-6-9-13-17/h6,8-9,12-13,18H,1-5,7,10-11,14-16H2,(H2,22,23,24)/t18-/m1/s1
InChI Key IHTMTVSBHMPLJC-GOSISDBHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-1-Bromo-3-(phosphonooxy)propan-2-yl 10-Phenyldecanoate
Synonyms Click here for help
(S)-17 [PMID: 31790581] | UCM05194
Database Links Click here for help
GtoPdb PubChem SID 404859034
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