Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2GTU230HA1

Structure

InChI Key MTJHLONVHHPNSI-IBGZPJMESA-N
Smile CCC[C@H](Nc1nc(-c2ccc(NC(=O)NCC)c(OC)c2)ncc1C)c1cccnc1
InChI
InChI=1S/C24H30N6O2/c1-5-8-19(18-9-7-12-25-15-18)28-22-16(3)14-27-23(30-22)17-10-11-20(21(13-17)32-4)29-24(31)26-6-2/h7,9-15,19H,5-6,8H2,1-4H3,(H2,26,29,31)(H,27,28,30)/t19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H30N6O2
Molecular Weight 434.54
AlogP 4.95
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 101.06
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tubulin inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Myeloma 2 D009101 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials

Cross References

Resources Reference
ChEBI 95005
ChEMBL CHEMBL552212
EPA CompTox DTXSID10238675
FDA SRS 2GTU230HA1
PDB LXL
PubChem 11351021
SureChEMBL SCHEMBL1122311
ZINC ZINC000043024000