Alvocidib hydrochlorideProduct ingredient for Alvocidib
- Name
- Alvocidib hydrochloride
- Drug Entry
- Alvocidib
Alvocidib is a synthetic flavonoid based on an extract from an Indian plant for the potential treatment of cancer. It works by inhibiting cyclin-dependent kinases, arresting cell division and causing apoptosis in non-small lung cancer cells.
- Accession Number
- DBSALT000800
- Structure
Structure for Alvocidib hydrochloride (DBSALT000800)
- Synonyms
- Flavopiridol HCl
- External IDs
- HL 275 / HMR 1275 / HMR-1275 / L 86 8275 / MDL 107,826A / NSC-649890
- UNII
- D48MS3A6N9
- CAS Number
- 131740-09-5
- Weight
- Average: 438.301
Monoisotopic: 437.079678201 - Chemical Formula
- C21H21Cl2NO5
- InChI Key
- LGMSNQNWOCSPIK-LWHGMNCYSA-N
- InChI
- InChI=1S/C21H20ClNO5.ClH/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22;/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3;1H/t12-,17+;/m0./s1
- IUPAC Name
- 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one hydrochloride
- SMILES
- Cl.[H][C@@]1(O)CN(C)CC[C@]1([H])C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=CC=C1Cl
- External Links
- PubChem Compound
- 9910986
- ChemSpider
- 8086637
- ChEBI
- 90998
- ChEMBL
- CHEMBL2105698
- Predicted Properties
Property Value Source Water Solubility 0.094 mg/mL ALOGPS logP 2.81 ALOGPS logP 2.09 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 6.82 Chemaxon pKa (Strongest Basic) 7.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 90.23 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 107.74 m3·mol-1 Chemaxon Polarizability 40.66 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon