Enzastaurin HydrochlorideProduct ingredient for Enzastaurin
- Name
- Enzastaurin Hydrochloride
- Drug Entry
- Enzastaurin
Enzastaurin, an investigational, targeted, oral agent, will be evaluated at more than 100 sites worldwide for the treatment of relapsed glioblastoma multiforme (GBM), an aggressive and malignant form of brain cancer.
- Accession Number
- DBSALT002020
- Structure
Structure for Enzastaurin Hydrochloride (DBSALT002020)
- Synonyms
- Not Available
- UNII
- KX7K68Z2UH
- CAS Number
- 359017-79-1
- Weight
- Average: 552.08
Monoisotopic: 551.2088029 - Chemical Formula
- C32H30ClN5O2
- InChI Key
- UUADYKVKJIMIPA-UHFFFAOYSA-N
- InChI
- InChI=1S/C32H29N5O2.ClH/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21;/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39);1H
- IUPAC Name
- 3-(1-methyl-1H-indol-3-yl)-4-(1-{1-[(pyridin-2-yl)methyl]piperidin-4-yl}-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
- SMILES
- Cl.CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12
- External Links
- ChemSpider
- 153462
- ChEMBL
- CHEMBL2107337
- Predicted Properties
Property Value Source Water Solubility 0.00903 mg/mL ALOGPS logP 4.86 ALOGPS logP 3.8 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 9.73 Chemaxon pKa (Strongest Basic) 8.29 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 72.16 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 151.61 m3·mol-1 Chemaxon Polarizability 56.76 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon