Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ASU841TV0X

Structure

InChI Key LZWZPGLVHLSWQX-XMMPIXPASA-N
Smile CCC[C@@H](N(NC(=O)c1cccc(OC)c1CC)C(=O)c1cc(C)cc(C)c1)C(C)(C)C
InChI
InChI=1S/C27H38N2O3/c1-9-12-24(27(5,6)7)29(26(31)20-16-18(3)15-19(4)17-20)28-25(30)22-13-11-14-23(32-8)21(22)10-2/h11,13-17,24H,9-10,12H2,1-8H3,(H,28,30)/t24-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H38N2O3
Molecular Weight 438.61
AlogP 5.88
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 58.64
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glioblastoma 2 D005909 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Scleroderma, Localized 1 D012594 ClinicalTrials
Diffuse Intrinsic Pontine Glioma 1 D000080443 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1093130-72-3
ChEMBL CHEMBL3039523
DrugBank DB12170
EPA CompTox DTXSID00148875
FDA SRS ASU841TV0X
PubChem 57751161
SureChEMBL SCHEMBL2582702