DIAZEPINOMICIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: YPH994Y0RF

Structure
InChI Key SALVHVNECODMJP-GNUCVDFRSA-N
Smile CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1C(=O)c2cccc(O)c2Nc2c(O)cc(O)cc21
InChI
InChI=1S/C28H34N2O4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-30-23-16-21(31)17-25(33)27(23)29-26-22(28(30)34)12-7-13-24(26)32/h7-8,10,12-14,16-17,29,31-33H,5-6,9,11,15H2,1-4H3/b19-10+,20-14+

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H34N2O4
Molecular Weight 462.59
AlogP 6.93
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 93.03
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- 0.46 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glioblastoma 2 D005909 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 156321
ChEMBL CHEMBL550961
DrugBank DB12420
EPA CompTox DTXSID40223539
FDA SRS YPH994Y0RF
PubChem 9868980
SureChEMBL SCHEMBL1180715
ZINC ZINC000003938687
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