LISAVANBULIN

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5PT0QP06X5

Structure
InChI Key NIPZLALJRAHABJ-IBGZPJMESA-N
Smile N#CCCNc1nonc1-c1nc2ccccc2n1CC(=O)c1ccc(NC(=O)[C@@H](N)CCCCN)cc1
InChI
InChI=1S/C26H29N9O3/c27-13-4-3-6-19(29)26(37)31-18-11-9-17(10-12-18)22(36)16-35-21-8-2-1-7-20(21)32-25(35)23-24(34-38-33-23)30-15-5-14-28/h1-2,7-12,19H,3-6,13,15-16,27,29H2,(H,30,34)(H,31,37)/t19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H29N9O3
Molecular Weight 515.58
AlogP 2.69
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 13.0
Polar Surface Area 190.77
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 38.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glioblastoma 1 D005909 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297595
DrugBank DB15224
FDA SRS 5PT0QP06X5
PubChem 45259014
SureChEMBL SCHEMBL1160313
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