SABIZABULIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key WQGVHOVEXMOLOK-UHFFFAOYSA-N
Smile COc1cc(C(=O)c2c[nH]c(-c3c[nH]c4ccccc34)n2)cc(OC)c1OC
InChI
InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H19N3O4
Molecular Weight 377.4
AlogP 3.81
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 89.23
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Respiratory Distress Syndrome 2 D012128 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2163631
PDB KUM
SureChEMBL SCHEMBL724794
ZINC ZINC000095555435
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