Pracinostat hydrochlorideProduct ingredient for Pracinostat
- Name
- Pracinostat hydrochloride
- Drug Entry
- Pracinostat
Pracinostat is a novel HDAC inhibitor with improved in vivo properties compared to other HDAC inhibitors currently in clinical trials, allowing oral dosing. Data demonstrate that Pracinostat is a potent and effective anti-tumor drug with potential as an oral therapy for a variety of human hematological and solid tumors.
- Accession Number
- DBSALT002933
- Structure
Structure for Pracinostat hydrochloride (DBSALT002933)
- Synonyms
- Pracinostat dihydrochloride
- UNII
- Not Available
- CAS Number
- Not Available
- Weight
- Average: 431.4
Monoisotopic: 430.1902317 - Chemical Formula
- C20H32Cl2N4O2
- InChI Key
- CHLPUMOYKYJFFH-PFNYCKIMSA-N
- InChI
- InChI=1S/C20H30N4O2.2ClH/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3;;/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25);2*1H/b12-10+;;
- IUPAC Name
- (2E)-3-{2-butyl-1-[2-(diethylamino)ethyl]-1H-1,3-benzodiazol-5-yl}-N-hydroxyprop-2-enamide dihydrochloride
- SMILES
- Cl.Cl.CCCCC1=NC2=C(C=CC(\C=C\C(=O)NO)=C2)N1CCN(CC)CC
- External Links
- ChemSpider
- 34228259
- ChEMBL
- CHEMBL3215861
- Predicted Properties
Property Value Source Water Solubility 0.0306 mg/mL ALOGPS logP 3.98 ALOGPS logP 2.57 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 9.29 Chemaxon pKa (Strongest Basic) 9.89 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 70.39 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 106.24 m3·mol-1 Chemaxon Polarizability 42.85 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon