NAV

Milvexian

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
3D
Similar Structures
Weight
Average: 626.45
Monoisotopic: 625.1319827
Chemical Formula
C28H23Cl2F2N9O2
Synonyms
  • Milvexian
External IDs
  • BMS-986177
  • JNJ-70033093
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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
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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
3RecruitingTreatmentAcute Coronary Syndrome (ACS)1
3RecruitingTreatmentAtrial Fibrillation1
3RecruitingTreatmentIschemic Stroke; Ischemic Attack, Transient1
2CompletedPreventionAcute Ischemic Stroke / Transient Ischemic Attack1
2CompletedPreventionArthroplasties, Replacement, Knee1

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
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0001009000-46c7f259cd51e9ec98a5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014l-3000092000-c2b8ce4b5360172351be
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aos-0036079000-f2fdc2d5f3cafebb5517
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-3002090000-985a89602fe109764bd3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014j-0069042000-61b824f0e0ffbbc2b8a8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-8010090000-e80e96680dd9a6576ae8
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

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