evofosfamide   Click here for help

GtoPdb Ligand ID: 8695

Synonyms: compound 3b [2] | TH-302
Compound class: Synthetic organic
Comment: Evofosfamide is a hypoxia-activated prodrug being investigated as an antineoplastic therapeutic (compound 3b in [2]). This compound is related to ifosfamide. Being developed by Threshold Pharmaceuticals.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 121.13
Molecular weight 446.93
XLogP 1.15
No. Lipinski's rules broken 0
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Canonical SMILES BrCCNP(=O)(NCCBr)OCc1cnc(n1C)[N+](=O)[O-]
Isomeric SMILES BrCCNP(=O)(NCCBr)OCc1cnc(n1C)[N+](=O)[O-]
InChI InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)
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
9811 evofosfamide
Synonyms Click here for help
compound 3b [2] | TH-302
Database Links Click here for help
CAS Registry No. 918633-87-1 (source: PubChem)
ChEMBL Ligand CHEMBL260046
GtoPdb PubChem SID 252166895
PubChem CID 11984561
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UniChem Compound Search for chemical match using the InChIKey UGJWRPJDTDGERK-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey UGJWRPJDTDGERK-UHFFFAOYSA-N