Carotegrast methyl
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Carotegrast methyl
- DrugBank Accession Number
- DB16119
- Background
Carotegrast methyl is under investigation in clinical trial NCT03531892 (A Study to Evaluate the Safety and Efficacy of AJM300 in Participants With Active Ulcerative Colitis).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 569.44
Monoisotopic: 568.1280254 - Chemical Formula
- C28H26Cl2N4O5
- Synonyms
- Carotegrast methyl
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
- 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
- OYK17DYO9M
- CAS number
- 401905-67-7
- InChI Key
- MMHHPKCJJIFLBQ-QFIPXVFZSA-N
- InChI
- InChI=1S/C28H26Cl2N4O5/c1-32(2)18-12-13-23-19(15-18)26(36)34(28(38)33(23)3)17-10-8-16(9-11-17)14-22(27(37)39-4)31-25(35)24-20(29)6-5-7-21(24)30/h5-13,15,22H,14H2,1-4H3,(H,31,35)/t22-/m0/s1
- IUPAC Name
- methyl (2S)-2-[(2,6-dichlorophenyl)formamido]-3-{4-[6-(dimethylamino)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]phenyl}propanoate
- SMILES
- COC(=O)[C@H](CC1=CC=C(C=C1)N1C(=O)N(C)C2=C(C=C(C=C2)N(C)C)C1=O)NC(=O)C1=C(Cl)C=CC=C1Cl
References
- General References
- Not Available
- External Links
- ChemSpider
- 8048469
- ZINC
- ZINC000070647168
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Ulcerative Colitis 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 0.00165 mg/mL ALOGPS logP 4.1 ALOGPS logP 4.73 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) 12.53 Chemaxon pKa (Strongest Basic) 3.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 99.26 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 149.55 m3·mol-1 Chemaxon Polarizability 58.16 Å3 Chemaxon Number of Rings 4 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 15, 2020 18:12 / Updated at February 21, 2021 18:55