derazantinib   Click here for help

GtoPdb Ligand ID: 9785

Synonyms: ARQ-087 | ARQ087
Compound class: Synthetic organic
Comment: Derazantinib (ARQ087) is an orally bioavailable, non-selective FGFR inhibitor being investigated for antineoplastic activity. Preclinical activity is reported by Hall et al. (2016) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 59.07
Molecular weight 468.23
XLogP 4.73
No. Lipinski's rules broken 0
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Canonical SMILES COCCNCCc1cccc(c1)Nc1ncc2c(n1)c1ccccc1C(C2)c1ccccc1F
Isomeric SMILES COCCNCCc1cccc(c1)Nc1ncc2c(n1)c1ccccc1[C@@H](C2)c1ccccc1F
InChI InChI=1S/C29H29FN4O/c1-35-16-15-31-14-13-20-7-6-8-22(17-20)33-29-32-19-21-18-26(24-10-4-5-12-27(24)30)23-9-2-3-11-25(23)28(21)34-29/h2-12,17,19,26,31H,13-16,18H2,1H3,(H,32,33,34)/t26-/m1/s1
1. Hall TG, Yu Y, Eathiraj S, Wang Y, Savage RE, Lapierre JM, Schwartz B, Abbadessa G. (2016)
Preclinical Activity of ARQ 087, a Novel Inhibitor Targeting FGFR Dysregulation.
PLoS ONE, 11 (9): e0162594. [PMID:27627808]
2. Papadopoulos KP, El-Rayes BF, Tolcher AW, Patnaik A, Rasco DW, Harvey RD, LoRusso PM, Sachdev JC, Abbadessa G, Savage RE et al.. (2017)
A Phase 1 study of ARQ 087, an oral pan-FGFR inhibitor in patients with advanced solid tumours.
Br J Cancer, 117 (11): 1592-1599. [PMID:28972963]