Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: XAV05295I5

Structure

InChI Key YOQPCWIXYUNEET-UHFFFAOYSA-N
Smile O=[N+]([O-])c1ccc(NN=C(c2ccc(O)cc2)c2ccc(O)cc2)c([N+](=O)[O-])c1
InChI
InChI=1S/C19H14N4O6/c24-15-6-1-12(2-7-15)19(13-3-8-16(25)9-4-13)21-20-17-10-5-14(22(26)27)11-18(17)23(28)29/h1-11,20,24-25H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H14N4O6
Molecular Weight 394.34
AlogP 3.78
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 151.13
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cervical Intraepithelial Neoplasia 2 D018290 ClinicalTrials
Sarcoma, Kaposi 1 D012514 ClinicalTrials
Lymphoproliferative Disorders 1 D008232 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL307697
DrugBank DB05686
FDA SRS XAV05295I5
PubChem 3089902
SureChEMBL SCHEMBL18821
ZINC ZINC000003914981