Zilucoplan

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

Identification

Name
Zilucoplan
Accession Number
DB15636
Type
Small Molecule
Groups
Investigational
Description

Zilucoplan is under investigation in clinical trial NCT04225871 (Open-label Extension of Zilucoplan in Subjects With Generalized Myasthenia Gravis).

Structure
Thumb
Synonyms
  • Zilucoplan
External IDs
RA101495 / WHO 10602
Categories
Not Available
UNII
YG391PK0CC
CAS number
1841136-73-9
Weight
Average: 3562.229
Monoisotopic: 3559.969439148
Chemical Formula
C172H278N24O55
InChI Key
JDXCOXKBIGBZSK-PSNKNOTQSA-N
InChI
InChI=1S/C172H278N24O55/c1-9-10-11-12-13-14-15-16-17-18-19-20-27-44-146(202)182-136(170(226)227)53-56-144(200)177-64-67-229-69-71-231-73-75-233-77-79-235-81-83-237-85-87-239-89-91-241-93-95-243-97-99-245-101-103-247-105-107-249-109-111-251-113-112-250-110-108-248-106-104-246-102-100-244-98-96-242-94-92-240-90-88-238-86-84-236-82-80-234-78-76-232-74-72-230-70-68-228-66-59-145(201)175-60-31-29-41-135(169(224)225)186-165(220)152(126-37-25-22-26-38-126)193-162(217)142-43-34-65-196(142)168(223)140(116-125-47-51-129(199)52-48-125)190-157(212)133(54-57-148(204)205)184-161(216)139(117-127-120-180-154-130(127)39-32-62-178-154)188-159(214)138(115-124-45-49-128(198)50-46-124)189-166(221)153(172(5,6)7)194-163(218)143(119-150(208)209)195(8)167(222)141-118-147(203)176-61-30-28-40-131(181-122(4)197)158(213)192-151(121(2)3)164(219)185-134(55-58-149(206)207)156(211)183-132(42-33-63-179-171(173)174)155(210)187-137(160(215)191-141)114-123-35-23-21-24-36-123/h21,23-24,32,35-36,39,45-52,62,120-121,126,131-143,151-153,198-199H,9-20,22,25-31,33-34,37-38,40-44,53-61,63-119H2,1-8H3,(H,175,201)(H,176,203)(H,177,200)(H,178,180)(H,181,197)(H,182,202)(H,183,211)(H,184,216)(H,185,219)(H,186,220)(H,187,210)(H,188,214)(H,189,221)(H,190,212)(H,191,215)(H,192,213)(H,193,217)(H,194,218)(H,204,205)(H,206,207)(H,208,209)(H,224,225)(H,226,227)(H4,173,174,179)/t131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,151-,152-,153+/m0/s1
IUPAC Name
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{1-[(2S,5S,8S,11S,14S,22S)-11-benzyl-8-(3-carbamimidamidopropyl)-5-(2-carboxyethyl)-22-acetamido-3,6,9,12,16,23-hexaoxo-2-(propan-2-yl)-1,4,7,10,13,17-hexaazacyclotricosan-14-yl]-N-methylformamido}-3-carboxypropanamido]-3,3-dimethylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}propanamido]-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-2-cyclohexylacetamido]-6-{1-[(4S)-4-carboxy-4-hexadecanamidobutanamido]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72-tetracosaoxapentaheptacontan-75-amido}hexanoic acid
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CNC2=NC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)N(C)C(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(C)(C)C)C1CCCCC1)C(O)=O)C(O)=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
ChemSpider
71115966

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentGeneralized Myasthenia Gravis1
2Active Not RecruitingTreatmentParoxysmal Nocturnal Haemoglobinuria (PNH)1
2CompletedTreatmentParoxysmal Nocturnal Haemoglobinuria (PNH)2
2Not Yet RecruitingTreatmentNovel Coronavirus Infectious Disease (COVID-19)1
2RecruitingTreatmentImmune Mediated Necrotizing Myopathy / Immune-mediated necrotizing myopathy1
2, 3Not Yet RecruitingTreatmentAmyotrophic Lateral Sclerosis (ALS)1
3Not Yet RecruitingTreatmentGeneralized Myasthenia Gravis1
3RecruitingTreatmentMyasthenia Gravis, Generalized1

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 Solubility0.00999 mg/mLALOGPS
logP2.08ALOGPS
logP-0.72ChemAxon
logS-5.6ALOGPS
pKa (Strongest Acidic)2.73ChemAxon
pKa (Strongest Basic)11.9ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count59ChemAxon
Hydrogen Donor Count28ChemAxon
Polar Surface Area1074.38 Å2ChemAxon
Rotatable Bond Count141ChemAxon
Refractivity922.42 m3·mol-1ChemAxon
Polarizability397.1 Å3ChemAxon
Number of Rings8ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Drug created on March 07, 2020 13:17 / Updated on March 07, 2020 19:51

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