This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Bentamapimod
- DrugBank Accession Number
- DB16851
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Bentamapimod (DB16851)
- Weight
- Average: 457.55
Monoisotopic: 457.157246175 - Chemical Formula
- C25H23N5O2S
- Synonyms
- Bentamapimod
- External IDs
- AS-602801
- AS602801
- PGL-5001
- PGL5001
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- TT3L4B4U0N
- CAS number
- 848344-36-5
- InChI Key
- XCPPIJCBCWUBNT-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H23N5O2S/c26-15-20(24-28-22-3-1-2-4-23(22)33-24)21-9-10-27-25(29-21)32-17-19-7-5-18(6-8-19)16-30-11-13-31-14-12-30/h1-10,20H,11-14,16-17H2
- IUPAC Name
- 2-(1,3-benzothiazol-2-yl)-2-[2-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)pyrimidin-4-yl]acetonitrile
- SMILES
- N#CC(C1=NC2=C(S1)C=CC=C2)C1=CC=NC(OCC2=CC=C(CN3CCOCC3)C=C2)=N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 8370750
- ChEMBL
- CHEMBL3545213
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Endometriosis 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 Water Solubility 0.00942 mg/mL ALOGPS logP 3.84 ALOGPS logP 4.29 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 9.39 Chemaxon pKa (Strongest Basic) 6.91 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 84.16 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 126.49 m3·mol-1 Chemaxon Polarizability 49.09 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at July 25, 2022 16:31 / Updated at December 01, 2022 11:31