This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- BI 2536
- DrugBank Accession Number
- DB16107
- Background
BI 2536 is under investigation in clinical trial NCT00376623 (Efficacy and Safety of BI 2536 in Advanced or Metastatic Non Small Cell Lung Cancer).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for BI 2536 (DB16107)
- Weight
- Average: 521.666
Monoisotopic: 521.311438144 - Chemical Formula
- C28H39N7O3
- Synonyms
- Not Available
- External IDs
- BI 2536
- BI-2536
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
- 4LJG22T9C6
- CAS number
- 755038-02-9
- InChI Key
- XQVVPGYIWAGRNI-JOCHJYFZSA-N
- InChI
- InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
- IUPAC Name
- 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
- SMILES
- CC[C@H]1N(C2CCCC2)C2=NC(NC3=CC=C(C=C3OC)C(=O)NC3CCN(C)CC3)=NC=C2N(C)C1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 9539348
- ChEMBL
- CHEMBL513909
- ZINC
- ZINC000013986815
- PDBe Ligand
- R78
- PDB Entries
- 2rku / 4i5m / 4o74 / 4ogi / 4py6 / 5c8g / 5tcm / 5vbq / 6bqq / 6cw0 … show 6 more
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Acute Myeloid Leukemia 1 2 Completed Treatment Breast Cancer / Endometrial Cancer / Head And Neck Cancer / Melanoma / Ovarian Cancer / Sarcomas 1 2 Completed Treatment Neoplasms of the Prostate 1 2 Completed Treatment Non-Small Cell Lung Carcinoma 1 2 Completed Treatment Pancreatic Neoplasms 1 2 Completed Treatment Small Cell Carcinoma 1 1 Completed Treatment Lymphoma 1 1 Completed Treatment Neoplasm 2 1 Completed Treatment Non-Small Cell Lung Carcinoma 1 1 Terminated Treatment Pancreatic Neoplasms 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 0.0198 mg/mL ALOGPS logP 3.56 ALOGPS logP 3.06 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 12.25 Chemaxon pKa (Strongest Basic) 8.57 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 102.93 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 148.64 m3·mol-1 Chemaxon Polarizability 58.88 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No 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 December 15, 2020 18:05 / Updated at December 20, 2020 03:37