Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9ENT43KY91

Structure

InChI Key JXONINOYTKKXQQ-CQSZACIVSA-N
Smile COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc(N)c3N)cc(Br)c1OC
InChI
InChI=1S/C18H17BrN4O3/c1-24-13-6-8(5-11(19)17(13)25-2)14-9-3-4-12(21)15(22)16(9)26-18(23)10(14)7-20/h3-6,14H,21-23H2,1-2H3/t14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H17BrN4O3
Molecular Weight 417.26
AlogP 2.85
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 129.54
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tubulin inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Thyroid Neoplasms 1 D013964 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1000852-17-4
ChEMBL CHEMBL2103852
DrugBank DB12925
EPA CompTox DTXSID10142925
FDA SRS 9ENT43KY91
PDB BG0
PubChem 23649181
SureChEMBL SCHEMBL1750575
ZINC ZINC000038153934