This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- AMY-101
- DrugBank Accession Number
- DB14803
- Background
AMY-101, also known as compstatin 40, is a peptidic inhibitor of the central complement component C3. AMY-101 is under investigation in clinical trial NCT03694444 (A Study of the C3 Complement Inhibitor AMY-101 in Adults With Gingivitis).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for AMY-101 (DB14803)
- Weight
- Average: 1789.11
Monoisotopic: 1787.838836367 - Chemical Formula
- C83H117N23O18S2
- Synonyms
- AMY 101
- Compstatin 40
- Cp40
- S3,S13-Cyclo(D-tyrolsyl-L-isoleucyl-L-cysteinyl-L-valyl-1-methyl-L-tryptophyl-L-glutaminyl-L-aspartyl-L-tryptophyl-N-methyl-L-glycyl-L-alanyl-L-histidyl-L-arginyl-L-cysteinyl-N-methyl-L-isoleucinamide)
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
- 4Z4DFR9BX7
- CAS number
- 1427001-89-5
- InChI Key
- MUSGYEMSJUFFHT-MHLWMKJLSA-N
- InChI
- InChI=1S/C83H117N23O18S2/c1-11-43(5)68(103-72(114)53(84)30-46-23-25-50(107)26-24-46)80(122)100-61-39-125-126-40-62(82(124)106(10)69(70(86)112)44(6)12-2)101-73(115)55(21-17-29-90-83(87)88)94-76(118)58(33-49-36-89-41-92-49)96-71(113)45(7)93-65(109)38-105(9)81(123)60(31-47-35-91-54-20-15-13-18-51(47)54)99-77(119)59(34-66(110)111)97-74(116)56(27-28-64(85)108)95-75(117)57(98-79(121)67(42(3)4)102-78(61)120)32-48-37-104(8)63-22-16-14-19-52(48)63/h13-16,18-20,22-26,35-37,41-45,53,55-62,67-69,91,107H,11-12,17,21,27-34,38-40,84H2,1-10H3,(H2,85,108)(H2,86,112)(H,89,92)(H,93,109)(H,94,118)(H,95,117)(H,96,113)(H,97,116)(H,98,121)(H,99,119)(H,100,122)(H,101,115)(H,102,120)(H,103,114)(H,110,111)(H4,87,88,90)/t43-,44-,45-,53+,55-,56?,57-,58?,59-,60-,61?,62?,67?,68-,69-/m0/s1
- IUPAC Name
- 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-[(2S,3S)-2-[(2R)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-7-(3-carbamimidamidopropyl)-4-{[(1S,2S)-1-carbamoyl-2-methylbutyl](methyl)carbamoyl}-25-(2-carbamoylethyl)-10-[(1H-imidazol-5-yl)methyl]-19-[(1H-indol-3-yl)methyl]-13,17-dimethyl-28-[(1-methyl-1H-indol-3-yl)methyl]-6,9,12,15,18,21,24,27,30,33-decaoxo-31-(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]acetic acid
- SMILES
- CC[C@H](C)[C@H](NC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CN(C)C3=C2C=CC=C3)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(N)=O
References
- General References
- Not Available
- External Links
- Not Available
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Not Yet Recruiting Treatment Acute Respiratory Distress Syndrome Due to SARS-CoV-2 Infection (Severe COVID19) / Coronavirus Disease 2019 (COVID‑19) 1 1 Completed Treatment Complement Mediated Diseases 1 1, 2 Completed Treatment Gingivitis 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 0.0166 mg/mL ALOGPS logP -0.03 ALOGPS logP -5.3 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 3.64 Chemaxon pKa (Strongest Basic) 11.53 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 23 Chemaxon Hydrogen Donor Count 21 Chemaxon Polar Surface Area 641.75 Å2 Chemaxon Rotatable Bond Count 29 Chemaxon Refractivity 475.09 m3·mol-1 Chemaxon Polarizability 184.15 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 0 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 May 20, 2019 14:28 / Updated at April 15, 2023 22:28