Acebilustat
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Acebilustat
- DrugBank Accession Number
- DB15385
- Background
Acebilustat is under investigation in clinical trial NCT01748838 (Phase 1 Study Assessing the Safety and Tolerability of CTX-4430).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 481.552
Monoisotopic: 481.200156361 - Chemical Formula
- C29H27N3O4
- Synonyms
- Acebilustat
- External IDs
- CTX 4430
- CTX-4430
- CTX4430
Pharmacology
- Indication
Not Available
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- 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
- J64RI4D29U
- CAS number
- 943764-99-6
- InChI Key
- GERJIEKMNDGSCS-DQEYMECFSA-N
- InChI
- InChI=1S/C29H27N3O4/c33-29(34)23-5-1-20(2-6-23)16-31-18-25-15-24(31)19-32(25)17-21-3-9-26(10-4-21)36-27-11-7-22(8-12-27)28-30-13-14-35-28/h1-14,24-25H,15-19H2,(H,33,34)/t24-,25-/m0/s1
- IUPAC Name
- 4-{[(1S,4S)-5-({4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl}methyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl}benzoic acid
- SMILES
- OC(=O)C1=CC=C(CN2C[C@@H]3C[C@H]2CN3CC2=CC=C(OC3=CC=C(C=C3)C3=NC=CO3)C=C2)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 52083859
- ChEMBL
- CHEMBL4297604
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Acne Vulgaris 1 2 Completed Treatment Coronavirus Disease 2019 (COVID‑19) 2 2 Completed Treatment Cystic Fibrosis (CF) 1 2 Recruiting Treatment Lymphedema of Upper Arm 1 1 Completed Basic Science Healthy Volunteers (HV) 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 0.0463 mg/mL ALOGPS logP 4.29 ALOGPS logP 1.91 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 3.78 Chemaxon pKa (Strongest Basic) 8.04 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 79.04 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 146.81 m3·mol-1 Chemaxon Polarizability 51.78 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-01q9-0000900000-84f524be8dd62c911291 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0000900000-ca3cf891cfb2262ce7eb Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0010900000-79596050b737d20b7a3b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-1100900000-24794dfa0becdd665c27 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0111900000-0e96cf8b274f0eff4832 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-03dr-1614900000-2ced6823466eb55f26fe Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 15:23 / Updated at July 18, 2023 22:57