ENZASTAURIN HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Salt
UNII: KX7K68Z2UH
Parent Compound: ENZASTAURIN

Structure
InChI Key UUADYKVKJIMIPA-UHFFFAOYSA-N
Smile Cl.Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H30ClN5O2
Molecular Weight 552.08
AlogP 4.93
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 72.16
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 39.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma, Large B-Cell, Diffuse 3 D016403 ClinicalTrials
Glioblastoma 3 D005909 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Colonic Neoplasms 2 D003110 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Peritoneal Neoplasms 2 D010534 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Neuroblastoma 1 D009447 ClinicalTrials
Central Nervous System Neoplasms 1 D016543 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Parent

Cross References

Resources Reference
ChEMBL CHEMBL2107337
EPA CompTox DTXSID70189477
FDA SRS KX7K68Z2UH
PubChem 176166
SureChEMBL SCHEMBL4325665
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