olafertinib   Click here for help

GtoPdb Ligand ID: 9863

Synonyms: CK101 | CK‐101 | Example 153 [US20170050936A1] | RX-518 | RX518
Compound class: Synthetic organic
Comment: Olafertinib (CK‐101) is an orally available third-generation, selective inhibitor of epidermal growth factor receptor (EGFR) harbouring activating mutations (e.g. the resistance mutation T790M, the L858R mutation and the exon 19 deletion (del 19) mutation). It is an irreversible (covalent binding) inhibitor with minimal activity towards the wild type EGFR. The chemical structure is claimed as Example 153 in patent US20170050936A1 [2].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 93.62
Molecular weight 530.22
XLogP 4.09
No. Lipinski's rules broken 0
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Canonical SMILES OCCN1CCN(CC1)c1ccc(c(c1F)F)Nc1ncc2c(n1)c(ccc2)c1cccc(c1)NC(=O)C=C
Isomeric SMILES OCCN1CCN(CC1)c1ccc(c(c1F)F)Nc1ncc2c(n1)c(ccc2)c1cccc(c1)NC(=O)C=C
InChI InChI=1S/C29H28F2N6O2/c1-2-25(39)33-21-7-3-5-19(17-21)22-8-4-6-20-18-32-29(35-28(20)22)34-23-9-10-24(27(31)26(23)30)37-13-11-36(12-14-37)15-16-38/h2-10,17-18,38H,1,11-16H2,(H,33,39)(H,32,34,35)
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
11160 olafertinib
Synonyms Click here for help
CK101 | CK‐101 | Example 153 [US20170050936A1] | RX-518 | RX518
Database Links Click here for help
GtoPdb PubChem SID 363894157
PubChem CID 117909640
Search Google for chemical match using the InChIKey IDRGFNPZDVBSSE-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey IDRGFNPZDVBSSE-UHFFFAOYSA-N
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