FOLITIXORIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0SXY5ET48B

Structure
InChI Key QYNUQALWYRSVHF-ABLWVSNPSA-N
Smile Nc1nc(=O)c2c([nH]1)NCC1CN(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-/m0/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

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 14

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 20502
ChEMBL CHEMBL117348
FDA SRS 0SXY5ET48B
PubChem 135400185
SureChEMBL SCHEMBL4097748
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