NAV

Danicopan

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

Identification

Generic Name
Danicopan
DrugBank Accession Number
DB15401
Background

Danicopan is under investigation in clinical trial NCT03459443 (A Proof of Concept Study for a 12 Month Treatment in Patients With C3 Glomerulopathy (C3G) or Immune-Complex Membranoproliferative Glomerulonephritis (IC-MPGN)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 580.418
Monoisotopic: 579.102979
Chemical Formula
C26H23BrFN7O3
Synonyms
  • (2S,4R)-1-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide
  • (2S,4R)-1-(2-(3-acetyl-5-(2-methylpyrimidine-5-yl)-1H-indazol-1-yl)acetyl)-N-(6-bromopyridine-2-yl)-4-fluoropyrrolidine-2-carboxamide
  • ACH-0144471
  • ACH-4471
  • ACH-CFDIS
  • ALXN 2040
  • Danicopan
External IDs
  • ACH 0144471
  • ACH-4471
  • ACH0144471
  • ALXN-2040
  • ALXN2040
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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/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" 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
JM8C1SFX0U
CAS number
1903768-17-1
InChI Key
PIBARDGJJAGJAJ-NQIIRXRSSA-N
InChI
InChI=1S/C26H23BrFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,31,32,38)/t18-,21+/m1/s1
IUPAC Name
(2S,4R)-1-{2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl]acetyl}-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide
SMILES
CC(=O)C1=NN(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2=CC=CC(Br)=N2)C2=C1C=C(C=C2)C1=CN=C(C)N=C1

References

General References
Not Available
ChemSpider
75531295
BindingDB
354268
ChEMBL
CHEMBL4250860

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentParoxysmal Nocturnal Haemoglobinuria (PNH)1
3CompletedTreatmentParoxysmal Nocturnal Haemoglobinuria (PNH)1
2Active Not RecruitingTreatmentDry Macular Degeneration1
2CompletedBasic ScienceC3 Glomerulonephritis / Complement 3 Glomerulopathy (C3G) / Immune Complex Mediated Membranoproliferative Glomerulonephritis / Membranoproliferative Glomerulonephritis Types I, II, and III / Membranoproliferative Glomerulonephritis, Type II1
2CompletedTreatmentC3 Glomerulonephritis / Complement 3 Glomerulopathy (C3G) / Membranoproliferative Glomerulonephritis, Type II1

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 Solubility0.0163 mg/mLALOGPS
logP3.05ALOGPS
logP2.53Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)11.7Chemaxon
pKa (Strongest Basic)2.23Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area122.97 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity153.34 m3·mol-1Chemaxon
Polarizability54.71 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-001i-0050090000-27de915a0e16b1d303ba
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01q9-0114090000-5edc672d45ed031f8f14
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-016r-0291040000-bf0daafdf86019a05305
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0lyk-0070190000-b31591a699ceb8d3835e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00b9-8941230000-d8a70fd37c9700aad845
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00vj-6491370000-9aec5a038c2a954a3ade
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:25 / Updated at July 18, 2023 22:57