Structure

InChI Key PGAVKCOVUIYSFO-XVFCMESISA-N
Smile O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChI
InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15N2O15P3
Molecular Weight 484.14
AlogP -2.5
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 8.0
Polar Surface Area 264.37
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 29.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lung Neoplasms 3 D008175 ClinicalTrials
Lung Diseases, Interstitial 2 D017563 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 15713
ChEMBL CHEMBL336296
DrugBank DB04005
DrugCentral 3639
EPA CompTox DTXSID0041147
FDA SRS UT0S826Z60
Human Metabolome Database HMDB0000285
Guide to Pharmacology 1734
KEGG C00075
PDB UTP
SureChEMBL SCHEMBL76682
ZINC ZINC000003861755