navarixin   Click here for help

GtoPdb Ligand ID: 8497

Synonyms: MK-7123 | MK7123 | SCH-527123 | SCH527123
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Navarixin (SCH-527123, MK-7123) is a potent and orally bioavailable CXCR2/CXCR1 receptor antagonist [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 111.88
Molecular weight 397.16
XLogP 3.39
No. Lipinski's rules broken 0
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Canonical SMILES CCC(c1ccc(o1)C)NC1=C(C(=O)C1=O)Nc1cccc(c1O)C(=O)N(C)C
Isomeric SMILES CC[C@H](c1ccc(o1)C)NC1=C(C(=O)C1=O)Nc1cccc(c1O)C(=O)N(C)C
InChI InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9464 navarixin
Synonyms Click here for help
MK-7123 | MK7123 | SCH-527123 | SCH527123
Database Links Click here for help
Specialist databases
GPCRdb Ligand navarixin
Other databases
CAS Registry No. 473727-83-2
ChEMBL Ligand CHEMBL216981
GtoPdb PubChem SID 252166705
PubChem CID 9865554
Search Google for chemical match using the InChIKey RXIUEIPPLAFSDF-CYBMUJFWSA-N
Search Google for chemicals with the same backbone RXIUEIPPLAFSDF
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UniChem Compound Search for chemical match using the InChIKey RXIUEIPPLAFSDF-CYBMUJFWSA-N
UniChem Connectivity Search for chemical match using the InChIKey RXIUEIPPLAFSDF-CYBMUJFWSA-N