ERLOSAMIDE

Search structure
Synonyms:
Status: Approved (2008)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 563KS2PQY5

Structure
InChI Key VPPJLAIAVCUEMN-GFCCVEGCSA-N
Smile COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
InChI
InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H18N2O3
Molecular Weight 250.3
AlogP 0.45
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 67.43
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Sodium channel alpha subunit blocker FDA PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 1210 -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 50119 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 415-415 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Epilepsy 4 D004827 ClinicalTrials
Peripheral Nervous System Diseases 3 D010523 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Epilepsies, Partial 3 D004828 ClinicalTrials
Diabetic Neuropathies 3 D003929 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Status Epilepticus 3 D013226 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Osteoarthritis 2 D010003 ClinicalTrials
Alcoholism 2 D000437 ClinicalTrials
Migraine Disorders 2 D008881 ClinicalTrials
Glioma 2 D005910 ClinicalTrials
Brain Neoplasms 2 D001932 ClinicalTrials
Neuralgia, Postherpetic 2 D051474 ClinicalTrials
Neuralgia 2 D009437 ClinicalTrials
Fibromyalgia 2 D005356 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials
Amyotrophic Lateral Sclerosis 1 D000690 ClinicalTrials

Cross References

Resources Reference
ChEBI 135939
ChEMBL CHEMBL58323
DrugBank DB06218
DrugCentral 4310
EPA CompTox DTXSID1057666
FDA SRS 563KS2PQY5
Guide to Pharmacology 7472
PharmGKB PA166160048
SureChEMBL SCHEMBL35330
ZINC ZINC000000007673
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