segigratinib   Click here for help

GtoPdb Ligand ID: 13218

Synonyms: 3D-185 | 3D185
Compound class: Synthetic organic
Comment: The chemical structure for segigratinib was obtained from proposed INN list 130 (Feb. 2024), in which the compound is described as a fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitor with [proposed antineoplastic action. A structure match via PubChem revealed segigratinib as the clinical candidate 3D185. 3D185 is a pan-FGFR inhibitor [1]. It also has inhibitory activity at CSF1R.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 99.58
Molecular weight 555.46
XLogP 3.88
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CC1(C)CN(CCN1)C2=CC=C(C=C2)C(=O)NC3=NNC4=C3C=CC(=N4)C5=C(C(=CC(=C5Cl)OC)OC)Cl
Isomeric SMILES ClC1=C(C(=C(C=C1OC)OC)Cl)C2=CC=C3C(=N2)NN=C3NC(C4=CC=C(C=C4)N5CC(NCC5)(C)C)=O
InChI InChI=1S/C27H28Cl2N6O3/c1-27(2)14-35(12-11-30-27)16-7-5-15(6-8-16)26(36)32-25-17-9-10-18(31-24(17)33-34-25)21-22(28)19(37-3)13-20(38-4)23(21)29/h5-10,13,30H,11-12,14H2,1-4H3,(H2,31,32,33,34,36)
InChI Key QNXOYMFBIACDSL-UHFFFAOYSA-N
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Summary of Clinical Use Click here for help
3D185 is an active clinical candidate that has potential to treat advanced solid tumours.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT04221204 A Monotherapy in Subjects With Advanced Solid Tumors Phase 1 Interventional 3D Medicines
NCT05039892 Efficacy and Safety of 3D185 Monotherapy in Subjects With Previously Treated Locally Advanced or Metastatic Cholangiocarcinoma Phase 2 Interventional 3D Medicines