ESK981
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- ESK981
- DrugBank Accession Number
- DB18155
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 649.77
Monoisotopic: 649.247123809 - Chemical Formula
- C35H35N7O4S
- Synonyms
- 4h-indazolo(5,4-a)pyrrolo(3,4-c)carbazol-4-one, 2,5,6,11,12,13-hexahydro-2-methyl-11-(2-methylpropyl)-8-(2-pyrimidinylamino)-, 4-methylbenzenesulfonate (1:1)
- Bol 303213x tosylate
- Bol-303213x tosylate
- Cep-11981 tosylate
- External IDs
- BOL 303213X
- BOL-303213X
- BOL303213X
- CEP 11981
- CEP-11981
- CEP11981
- ESK 981
- ESK-981
- ESK981
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key ESK981 tosylate Not Available 901128-79-8 Not applicable
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- J8AY0Z4CBP
- CAS number
- 856691-93-5
- InChI Key
- OCCDXAYTEKPNMM-UHFFFAOYSA-N
- InChI
- InChI=1S/C28H27N7O.C7H8O3S/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32);2-5H,1H3,(H,8,9,10)
- IUPAC Name
- 19-methyl-3-(2-methylpropyl)-7-[(pyrimidin-2-yl)amino]-3,13,19,20-tetraazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-14-one; 4-methylbenzene-1-sulfonic acid
- SMILES
- CC1=CC=C(C=C1)S(O)(=O)=O.CC(C)CN1C2=C(C=C(NC3=NC=CC=N3)C=C2)C2=C1C1=C(C3=CN(C)N=C3CC1)C1=C2CNC1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 81367435
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Castration Levels of Testosterone / Castration-Resistant Prostate Carcinoma / Metastatic Carcinoma of the Prostate / PSA Progression / Stage IV Prostate Adenocarcinoma AJCC v7 1 2 Recruiting Treatment Adenosquamous Cell Carcinoma / Gastro-intestinal Neuroendocrine Tumors / Gastrointestinal Neuroendocrine Carcinomas / Pancreatic Adenocarcinoma / Pancreatic Neuroendocrine Carcinoma / Pancreatic Neuroendocrine Tumor / Prostate Neuroendocrine Carcinoma 1 2 Terminated Treatment Metastatic Renal Cell Carcinoma ( mRCC) 1 2 Unknown Status Treatment Castration Levels of Testosterone / Castration-Resistant Prostate Carcinoma / Metastatic Carcinoma of the Prostate / Prostate Carcinoma Metastatic to the Bone / Stage IVB Prostate Cancer AJCC v8 1 1 Completed Treatment Cancer 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source logP 4.09 Chemaxon pKa (Strongest Acidic) 12.73 Chemaxon pKa (Strongest Basic) 2.63 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 89.66 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 151.64 m3·mol-1 Chemaxon Polarizability 54.4 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 12, 2023 23:31 / Updated at September 28, 2023 05:48