Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 2BTG5MX2Q2

Structure

InChI Key XNUNVQKARNSSEO-UHFFFAOYSA-N
Smile CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1
InChI
InChI=1S/C24H34N6O/c1-19(2)28-15-9-21(10-16-28)29-13-4-14-30(18-17-29)23-6-3-5-22(27-23)24(31)26-20-7-11-25-12-8-20/h3,5-8,11-12,19,21H,4,9-10,13-18H2,1-2H3,(H,25,26,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H34N6O
Molecular Weight 422.58
AlogP 3.11
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 64.6
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 31.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glioblastoma 1 D005909 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297449
DrugBank DB15265
FDA SRS 2BTG5MX2Q2
SureChEMBL SCHEMBL15347153