NAV

Nerandomilast

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

Identification

Generic Name
Nerandomilast
DrugBank Accession Number
DB18237
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 448.97
Monoisotopic: 448.1448229
Chemical Formula
C20H25ClN6O2S
Synonyms
  • BI-1015550
External IDs
  • BI 1015550
  • BI-1015550
  • BI1015550
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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
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
I5DGT51IB8
CAS number
1423719-30-5
InChI Key
UHYCLWAANUGUMN-SSEXGKCCSA-N
InChI
InChI=1S/C20H25ClN6O2S/c21-14-10-22-17(23-11-14)13-2-7-27(8-3-13)19-24-15-4-9-30(29)16(15)18(25-19)26-20(12-28)5-1-6-20/h10-11,13,28H,1-9,12H2,(H,24,25,26)/t30-/m1/s1
IUPAC Name
(5R)-2-[4-(5-chloropyrimidin-2-yl)piperidin-1-yl]-4-{[1-(hydroxymethyl)cyclobutyl]amino}-5H,6H,7H-thieno[3,2-d]pyrimidin-5-ium-5-olate
SMILES
OCC1(CCC1)NC1=NC(=NC2=C1[S@+]([O-])CC2)N1CCC(CC1)C1=NC=C(Cl)C=N1

References

General References
Not Available
ChemSpider
129160248

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Not Yet RecruitingTreatmentIdiopathic Pulmonary Fibrosis (IPF) / Progressive Pulmonary Fibrosis1
2CompletedTreatmentIdiopathic Pulmonary Fibrosis (IPF)1
2Not Yet RecruitingTreatmentIdiopathic Pulmonary Fibrosis (IPF)1
2Not Yet RecruitingTreatmentInterstitial Lung Disease Due to Systemic Disease / Scleroderma1
1CompletedTreatmentHealthy Volunteers (HV)13

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
logP1.38Chemaxon
pKa (Strongest Acidic)14.49Chemaxon
pKa (Strongest Basic)3.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area104.13 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity120.55 m3·mol-1Chemaxon
Polarizability47.14 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 14, 2023 21:43 / Updated at February 05, 2024 00:29