Zipalertinib
N-[(8S)-4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide
Molecular Identity
Zipalertinib
N-[(8S)-4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide
PubChem CID: 117918742
Zipalertinib is a member of the class of acrylamides that is (8S)-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine in which the amino group at position 8S is substituted by an acryloyl group. It a covalent epidermal growth factor receptor inhibitor that targets exon 20 insertion mutations. It has a role as an antineoplastic agent, an apoptosis inducer and an epidermal growth factor receptor antagonist. It is a secondary carboxamide, a member of acrylamides, a member of quinolines, an organic heterotricyclic compound, an aromatic amine and a primary amino compound.
2D Structure
Properties
C23H20N6O
Molecular Formula
396.40
Molecular Weight
g/mol
396.1699
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
98.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
710
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(CN2C1=C(C3=C(N=CN=C32)N)C4=CC5=CC=CC=C5N=C4)NC(=O)C=CIsomeric SMILES
SMILES: CC1=C[C@@H](CN2C1=C(C3=C(N=CN=C32)N)C4=CC5=CC=CC=C5N=C4)NC(=O)C=CSynonyms(20)
TAS64171661854-97-2ZipalertinibTAS-6417CLN-081CLN081TPC064TPC-064Cln 081T4YMU8TW9HTAS 6417RefChem:196114Pan-EGFR Inhibitor CLN-081Mutation-specific EGFR TKI TAS6417EGFR Mutant-specific Inhibitor CLN-081
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Zipalertinib
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