This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Milvexian
DrugBank Accession Number
DB16233
Background

Milvexian is under investigation in clinical trial NCT03766581 (A Study on BMS-986177 for the Prevention of a Stroke in Patients Receiving Aspirin and Clopidogrel).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 626.45
Monoisotopic: 625.1319827
Chemical Formula
C28H23Cl2F2N9O2
Synonyms
  • Milvexian
External IDs
  • BMS-986177
  • JNJ-70033093

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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/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
0W79NDQ608
CAS number
1802425-99-5
InChI Key
FSWFYCYPTDLKON-CMJOXMDJSA-N
InChI
InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
IUPAC Name
(9R,13S)-13-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6-oxo-1,6-dihydropyrimidin-1-yl}-3-(difluoromethyl)-9-methyl-3,4,7,15-tetraazatricyclo[12.3.1.0^{2,6}]octadeca-1(17),2(6),4,14(18),15-pentaen-8-one
SMILES
C[C@@H]1CCC[C@H](N2C=NC(=CC2=O)C2=CC(Cl)=CC=C2N2C=C(Cl)N=N2)C2=CC(=CC=N2)C2=C(NC1=O)C=NN2C(F)F

References

General References
Not Available
ChemSpider
76803905
ChEMBL
CHEMBL4112929
PDBe Ligand
YXG
PDB Entries
7mbo

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedPreventionAcute Ischemic Stroke / Transient Ischemic Attack1
2CompletedPreventionArthroplasties, Replacement, Knee1
1CompletedBasic ScienceHealthy Subjects (HS)1
1CompletedBasic ScienceThrombosis2
1CompletedHealth Services ResearchThrombosis1
1CompletedOtherHealthy Subjects (HS)5
1CompletedOtherThrombosis3
1CompletedTreatmentEnd Stage Renal Disease (ESRD) / Factor XI / Impaired Renal Function / Thrombosis1
1CompletedTreatmentHealthy Subjects (HS)3
1CompletedTreatmentThrombosis2

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
PropertyValueSource
Water Solubility0.00367 mg/mLALOGPS
logP4.42ALOGPS
logP4.72Chemaxon
logS-5.2ALOGPS
pKa (Strongest Acidic)11.94Chemaxon
pKa (Strongest Basic)2.81Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area123.19 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity169.97 m3·mol-1Chemaxon
Polarizability59.55 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at December 15, 2020 18:16 / Updated at February 21, 2021 18:55