bemcentinib   Click here for help

GtoPdb Ligand ID: 10478

Synonyms: BGB-324 | BGB324 | R-428 | R428
PDB Ligand
Compound class: Synthetic organic
Comment: Bemcentinib (BGB324, R428) is a potent, selective and orally active AXL receptor tyrosine kinase inhibitor that was discovered by Rigel as R428 [3] and which is being developed by BergenBio for anti-cancer potential [4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 97.26
Molecular weight 506.29
XLogP 5.05
No. Lipinski's rules broken 1
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Canonical SMILES Nc1nc(nn1c1nnc2c(c1)CCCc1c2cccc1)Nc1ccc2c(c1)CCC(CC2)N1CCCC1
Isomeric SMILES Nc1nc(nn1c1nnc2c(c1)CCCc1c2cccc1)Nc1ccc2c(c1)CC[C@H](CC2)N1CCCC1
InChI InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1
1. Bohan D, Van Ert H, Ruggio N, Rogers KJ, Badreddine M, Aguilar Briseño JA, Elliff JM, Rojas Chavez RA, Gao B, Stokowy T et al.. (2021)
Phosphatidylserine receptors enhance SARS-CoV-2 infection.
PLoS Pathog, 17 (11): e1009743. [PMID:34797899]
2. Dittmar M, Lee JS, Whig K, Segrist E, Li M, Kamalia B, Castellana L, Ayyanathan K, Cardenas-Diaz FL, Morrisey EE et al.. (2021)
Drug repurposing screens reveal cell-type-specific entry pathways and FDA-approved drugs active against SARS-Cov-2.
Cell Rep, 35 (1): 108959. [PMID:33811811]
3. Holland SJ, Pan A, Franci C, Hu Y, Chang B, Li W, Duan M, Torneros A, Yu J, Heckrodt TJ et al.. (2010)
R428, a selective small molecule inhibitor of Axl kinase, blocks tumor spread and prolongs survival in models of metastatic breast cancer.
Cancer Res, 70 (4): 1544-54. [PMID:20145120]
4. Myers SH, Brunton VG, Unciti-Broceta A. (2016)
AXL Inhibitors in Cancer: A Medicinal Chemistry Perspective.
J Med Chem, 59 (3): 3593-608. [PMID:26555154]
5. Sonja L, Gjertsen BT, Heuser M, Chromik J, Batalla IS, Akyuz N, Micklem D, Brown A, Lorens J, Kebenko M et al.. (2016)
BGB324, an Orally Available Selective Axl Inhibitor Exerts Anti-Leukemic Activity in the First-in-Patient Trial BGBC003 and Induces Unique Changes in Biomarker Profiles.
Blood, 128: 592.
6. UK Department of Health and Social Care. 
COVID-19 treatments could be fast-tracked through new national clinical trial initiative.
Accessed on 01/06/2020. Modified on 01/06/2020.,