camonsertib   Click here for help

GtoPdb Ligand ID: 12073

Synonyms: RP-3500 | RP3500
Compound class: Synthetic organic
Comment: RP-3500 is a clinical lead, selective ATR (Ataxia telangiectasia and Rad3-related) serine/threonine kinase inhibitor that was developed as a novel oncology therapeutic [1]. We matched RP-3500's chemical structure to the INN 'camonsertib' that was included in the WHO's proposed INN list 127 (21 July 2022).
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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 3
Topological polar surface area 100.8
Molecular weight 410.21
XLogP 3.25
No. Lipinski's rules broken 0
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Canonical SMILES C[C@@H]1COCCN1c1cc(c2c(n1)n(nc2)c1ccn[nH]1)C1(O)C[C@@H]2CC[C@H](C1)O2
Isomeric SMILES C[C@@H]1COCCN1c1nc2c(cnn2c2ccn[nH]2)c(c1)C1(C[C@H]2CC[C@@H](C1)O2)O
InChI InChI=1S/C21H26N6O3/c1-13-12-29-7-6-26(13)19-8-17(21(28)9-14-2-3-15(10-21)30-14)16-11-23-27(20(16)24-19)18-4-5-22-25-18/h4-5,8,11,13-15,28H,2-3,6-7,9-10,12H2,1H3,(H,22,25)/t13-,14-,15+,21?/m1/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
12148 camonsertib
Synonyms Click here for help
RP-3500 | RP3500
Database Links Click here for help
GtoPdb PubChem SID 472319195
PubChem CID 156487652
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UniChem Compound Search for chemical match using the InChIKey YIHHYCIYAIVQKX-YNOVCBQDSA-N
UniChem Connectivity Search for chemical match using the InChIKey YIHHYCIYAIVQKX-YNOVCBQDSA-N