TINOSTAMUSTINE

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Synonyms
Status
Molecule Category Free-form
UNII 29DKI2H2NY

Structure

InChI Key GISXTRIGVCKQBX-UHFFFAOYSA-N
Smiles Cn1c(CCCCCCC(=O)NO)nc2cc(N(CCCl)CCCl)ccc21
InChI
InChI=1S/C19H28Cl2N4O2/c1-24-17-9-8-15(25(12-10-20)13-11-21)14-16(17)22-18(24)6-4-2-3-5-7-19(26)23-27/h8-9,14,27H,2-7,10-13H2,1H3,(H,23,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H28Cl2N4O2
Molecular Weight 415.37
AlogP 3.86
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 70.39
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 6 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 6-6 - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3989941
DrugBank DB15147
FDA SRS 29DKI2H2NY
PubChem 46836227
SureChEMBL SCHEMBL7915449
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