MRTX0902   Click here for help

GtoPdb Ligand ID: 11966

Synonyms: MRTX-0902
PDB Ligand
Compound class: Synthetic organic
Comment: MRTX0902 is an inhibitor of the SOS Ras/Rac guanine nucleotide exchange factor 1 (SOS1) that is intended to target the RAS pathway in KRAS positive tumours. It ws developed by Mirati Therapeutics and its chemical structure was disclosed at the AACR spring meeting in 2022. Full details were published in the Journal of Medicinal Chemistry in July 2022 [3]. MRTX0902 disrupts the protein-protein interaction between SOS1 and KRAS, it is orally bioavailable and can cross the blood-brain barrier. SOS1 is a key activator of KRAS function, so inhibiting their interaction is being explored as novel mechanism to combat KRAS-driven cancers [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 86.96
Molecular weight 388.2
XLogP 3.7
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1cccc(c1C)[C@H](Nc1nnc(c2c1cc(nc2)N1CCOCC1)C)C
Isomeric SMILES C[C@@H](Nc1nnc(C)c2c1cc(nc2)N1CCOCC1)c1cccc(C#N)c1C
InChI InChI=1S/C22H24N6O/c1-14-17(12-23)5-4-6-18(14)15(2)25-22-19-11-21(28-7-9-29-10-8-28)24-13-20(19)16(3)26-27-22/h4-6,11,13,15H,7-10H2,1-3H3,(H,25,27)/t15-/m1/s1
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
Database Links Click here for help
GtoPdb PubChem SID 464244107
PubChem CID 156526655
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