HALOFUGINONE HYDROBROMIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: PTC2969MV1

Structure
InChI Key SJUWEPZBTXEUMU-UHFFFAOYSA-N
Smile Br.O=C(CC1NCCCC1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O
InChI
InChI=1S/C16H17BrClN3O3.BrH/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14;/h5-6,8,14-15,19,23H,1-4,7H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H18Br2ClN3O3
Molecular Weight 495.6
AlogP 1.88
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 84.22
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sarcoma, Kaposi 2 D012514 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL559362
FDA SRS PTC2969MV1
PubChem 11591339
SureChEMBL SCHEMBL11324712
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