vociprotafib   Click here for help

GtoPdb Ligand ID: 12067

Synonyms: compound A-290 [WO2018013597A1] | RMC-4630 | RMC4630 | SAR-442720 | SAR442720 | SHP2-IN-7
Compound class: Synthetic organic
Comment: RMC-4630 (Revolution Medicines) is a clinical stage oral, allosteric SHP2 (PTPN11) inhibitor [1] that is being evaluated for efficacy against advanced solid tumours. SHP2 is a phosphatase whose inhibition blocks activation of the RAS-RAF-MEK-ERK signalling pathway which is often hyperactivated in tumours.
We matched RMC-4630's chemical structure to the INN 'vociprotafib' which was released in the WHO's proposed INN list 127 on 21 July 2022.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 148.71
Molecular weight 450.16
XLogP 1.76
No. Lipinski's rules broken 0
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Canonical SMILES OCc1nc(Sc2ccnc(c2Cl)N)c(nc1N1CCC2(CC1)CO[C@H]([C@H]2N)C)C
Isomeric SMILES C[C@H]1[C@H](C2(CCN(CC2)c2nc(c(nc2CO)Sc2c(c(ncc2)N)Cl)C)CO1)N
InChI InChI=1S/C20H27ClN6O2S/c1-11-19(30-14-3-6-24-17(23)15(14)21)26-13(9-28)18(25-11)27-7-4-20(5-8-27)10-29-12(2)16(20)22/h3,6,12,16,28H,4-5,7-10,22H2,1-2H3,(H2,23,24)/t12-,16+/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
12270 vociprotafib
Synonyms Click here for help
compound A-290 [WO2018013597A1] | RMC-4630 | RMC4630 | SAR-442720 | SAR442720 | SHP2-IN-7
Database Links Click here for help
CAS Registry No. 2172652-48-9 (source: PubChem)
GtoPdb PubChem SID 472319189
PubChem CID 134182831
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UniChem Compound Search for chemical match using the InChIKey HISJAYUQVHMWTA-BLLLJJGKSA-N
UniChem Connectivity Search for chemical match using the InChIKey HISJAYUQVHMWTA-BLLLJJGKSA-N