Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 447591A1PU

Structure

InChI Key UYODNJZBUUEXPC-UHFFFAOYSA-N
Smile CC(C)(C)CNCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21
InChI
InChI=1S/C19H23IN6O2S/c1-19(2,3)8-22-4-5-26-17-15(16(21)23-9-24-17)25-18(26)29-14-7-13-12(6-11(14)20)27-10-28-13/h6-7,9,22H,4-5,8,10H2,1-3H3,(H2,21,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23IN6O2S
Molecular Weight 526.4
AlogP 3.53
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 100.11
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glioblastoma 1 D005909 ClinicalTrials
Astrocytoma 1 D001254 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4650317
FDA SRS 447591A1PU
PubChem 68185467
SureChEMBL SCHEMBL11980436