ARFOLITIXORIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Z8R4A37V9Q

Structure
InChI Key QYNUQALWYRSVHF-OLZOCXBDSA-N
Smile Nc1nc(=O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21
InChI
InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23N7O6
Molecular Weight 457.45
AlogP -0.52
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 7.0
Polar Surface Area 193.98
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rectal Neoplasms 3 D012004 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Osteosarcoma 1 D012516 ClinicalTrials
Colonic Neoplasms 1 D003110 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 1989
ChEMBL CHEMBL1234270
DrugBank DB12676
EPA CompTox DTXSID60185584
FDA SRS Z8R4A37V9Q
PDB MEF
SureChEMBL SCHEMBL186747
ZINC ZINC000004228243
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