LM-030
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- LM-030
- DrugBank Accession Number
- DB18283
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 929.126
Monoisotopic: 928.52696979 - Chemical Formula
- C46H72N8O12
- Synonyms
- (S)-2-ISOBUTYRYLAMINO-PENTANEDIOIC ACID 5-AMIDE 1-{[(2S,5S,8S,11R,12S,15S,18S,21R)-2,8-BIS-((S)-SEC-BUTYL)-21-HYDROXY-5-(4-HYDROXY-BENZYL)-15-ISOBUTYL-4,11-DIMETHYL-3,6,9,13,16,22-HEXAOXO-10-OXA-1,4,7,14,17-PENTAAZA-BICYCLO[16.3.1]DOCOS-12-YL]-AMIDE
- L-ISOLEUCINE, N2-(2-METHYL-1-OXOPROPYL)-L-GLUTAMINYL-L-THREONYL-L-LEUCYL-(.ALPHA.S,3S,6R)-3-AMINO-6-HYDROXY-.ALPHA.-((1S)-1-METHYLPROPYL)-2-OXO-1-PIPERIDINEACETYL-N-METHYL-L-TYROSYL-, (6->2)-LACTONE
- External IDs
- BPR 277
- BPR-277
- BPR277
- LM 030
- LM-030
- LM030
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 31I6DBK5RW
- CAS number
- 1122484-55-2
- InChI Key
- QZEXRDYEZBKQHM-TULYSKAASA-N
- InChI
- InChI=1S/C46H72N8O12/c1-11-25(7)36-46(65)66-27(9)37(52-40(59)30(17-19-34(47)56)48-39(58)24(5)6)43(62)50-32(21-23(3)4)41(60)49-31-18-20-35(57)54(44(31)63)38(26(8)12-2)45(64)53(10)33(42(61)51-36)22-28-13-15-29(55)16-14-28/h13-16,23-27,30-33,35-38,55,57H,11-12,17-22H2,1-10H3,(H2,47,56)(H,48,58)(H,49,60)(H,50,62)(H,51,61)(H,52,59)/t25-,26-,27+,30-,31-,32-,33-,35+,36-,37-,38-/m0/s1
- IUPAC Name
- (2S)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-2,8-bis[(2S)-butan-2-yl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]-2-(2-methylpropanamido)pentanediamide
- SMILES
- [H][C@@]12CC[C@@H](O)N([C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1)C2=O
References
- General References
- Not Available
- External Links
- Not Available
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Atopic Dermatitis / Healthy Volunteers (HV) / Netherton 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 logP 1.31 Chemaxon pKa (Strongest Acidic) 9.5 Chemaxon pKa (Strongest Basic) 4.57 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 8 Chemaxon Polar Surface Area 295.97 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 239.2 m3·mol-1 Chemaxon Polarizability 98.58 Å3 Chemaxon Number of Rings 3 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 15, 2023 21:06 / Updated at February 05, 2024 00:29