This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Nevanimibe
- DrugBank Accession Number
- DB16254
- Background
Nevanimibe is under investigation in clinical trial NCT03053271 (A Study of ATR-101 for the Treatment of Endogenous Cushing's Syndrome).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Nevanimibe (DB16254)
- Weight
- Average: 421.629
Monoisotopic: 421.309312888 - Chemical Formula
- C27H39N3O
- Synonyms
- Atr-101 free base
- Nevanimibe
- External IDs
- PD 132301
- PD-132301
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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 Nevanimibe hydrochloride TK694ZFS57 133825-81-7 Not applicable
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- VK9OS8R205
- CAS number
- 133825-80-6
- InChI Key
- PKKNCEXEVUFFFI-UHFFFAOYSA-N
- InChI
- InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31)
- IUPAC Name
- 1-[2,6-bis(propan-2-yl)phenyl]-3-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)urea
- SMILES
- CC(C)C1=CC=CC(C(C)C)=C1NC(=O)NCC1(CCCC1)C1=CC=C(C=C1)N(C)C
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0255573
- ChemSpider
- 116346
- BindingDB
- 50041735
- ChEMBL
- CHEMBL46423
- PDBe Ligand
- ROV
- PDB Entries
- 6vum / 7n6r
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Congenital Adrenal Hyperplasia (CAH) 1 2 Terminated Treatment Congenital Adrenal Hyperplasia (CAH) 1 2 Terminated Treatment Cushing's Syndrome 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 0.000589 mg/mL ALOGPS logP 6.1 ALOGPS logP 6.88 Chemaxon logS -5.9 ALOGPS pKa (Strongest Acidic) 13.67 Chemaxon pKa (Strongest Basic) 4.89 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 44.37 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 132.94 m3·mol-1 Chemaxon Polarizability 50.5 Å3 Chemaxon Number of Rings 3 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 18:17 / Updated at December 13, 2022 10:46