AR-67   Click here for help

GtoPdb Ligand ID: 8919

Synonyms: AR67 | compound 14 [PMID:11052802] | DB-67 | DB67 | silatecan
Compound class: Synthetic organic
Comment: AR-67 is a synthetic, highly lipophilic derivative of the natural alkaloid camptothecin (PubChem CID 24360), with potential antineoplastic [3,5] and radiosensitizing activities [4]. The compound has improved physicochemical properties compared to other camptothecin-derived drugs (e.g. SN-38, the active metabolite of the anti-cancer drug irinotecan, and topotecan) [2].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 101.65
Molecular weight 478.19
XLogP 5.09
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCC1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)[Si](C(C)(C)C)(C)C)O
Isomeric SMILES CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)[Si](C(C)(C)C)(C)C)O
InChI InChI=1S/C26H30N2O5Si/c1-7-26(32)18-11-20-21-16(12-28(20)23(30)17(18)13-33-24(26)31)22(34(5,6)25(2,3)4)15-10-14(29)8-9-19(15)27-21/h8-11,29,32H,7,12-13H2,1-6H3/t26-/m0/s1
InChI Key XUSKJHCMMWAAHV-SANMLTNESA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
AR67 | compound 14 [PMID:11052802] | DB-67 | DB67 | silatecan
Database Links Click here for help
CAS Registry No. 220913-32-6
ChEMBL Ligand CHEMBL412309
GtoPdb PubChem SID 310264700
PubChem CID 6712744
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