BI-4142   Click here for help

GtoPdb Ligand ID: 12164

Synonyms: BI4142 | compound 8 [PMID: 35883003] | example L-1 [WO2021156178A1] [1]
Compound class: Synthetic organic
Comment: BI-4142 is an oral HER2 selective inhibitor [2]. It inhibits proliferation of Ba/F3 cancer cells with wild-type and activating exon 20 mutation HER2YVMA. EGFR signalling via the EGFR receptor is not altered by BI-4142. BI-4142 is being developed for potential to treat advanced non-small cell lung cancer with oncogenic alterations in Exon 20 of the ERBB2 gene.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 105.91
Molecular weight 467.22
XLogP 2.59
No. Lipinski's rules broken 0
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Canonical SMILES Cc1cc(ccc1Oc1ccc2c(c1)ncn2C)Nc1ncnc2c1nc(nc2)N1CCNCC1
Isomeric SMILES Cc1cc(ccc1Oc1cc2c(n(cn2)C)cc1)Nc1c2c(ncn1)cnc(n2)N1CCNCC1
InChI InChI=1S/C25H25N9O/c1-16-11-17(3-6-22(16)35-18-4-5-21-19(12-18)30-15-33(21)2)31-24-23-20(28-14-29-24)13-27-25(32-23)34-9-7-26-8-10-34/h3-6,11-15,26H,7-10H2,1-2H3,(H,28,29,31)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
BI4142 | compound 8 [PMID: 35883003] | example L-1 [WO2021156178A1] [1]
Database Links Click here for help
GtoPdb PubChem SID 472319286
PubChem CID 156821173
Search Google for chemical match using the InChIKey GBSWEJRAVNWKCB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GBSWEJRAVNWKCB
UniChem Compound Search for chemical match using the InChIKey GBSWEJRAVNWKCB-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey GBSWEJRAVNWKCB-UHFFFAOYSA-N