NAV

Acebilustat

This drug entry is astuband 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
 3D
Similar Structures
Weight
Average: 481.552
Monoisotopic: 481.200156361
Chemical Formula
C29H27N3O4
Synonyms
  • Acebilustat
External IDs
  • CTX-4430

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
ChemSpider
52083859

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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 Subjects (HS) 1
1 Completed Other Healthy Subjects (HS) 1
1 Completed Treatment Cystic Fibrosis (CF) 1
1 Completed Treatment Pulmonary Inflammation 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 价值 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米3·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
Not Available

Drug created at May 20, 2019 15:23 / Updated at February 21, 2021 18:55