This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Mibenratide
- DrugBank Accession Number
- DB15195
- Background
Mibenratide is under investigation in clinical trial NCT01798745 (A Study to Assess the Pharmacokinetics and Pharmacodynamics of JNJ-54452840 in Participants With Heart Failure and Anti-beta1-adrenergic Receptor Autoantibodies).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Mibenratide (DB15195)
- Weight
- Average: 2097.27
Monoisotopic: 2095.88400821 - Chemical Formula
- C87H129N27O30S2
- Synonyms
- JNJ-54452840
- Mibenratide
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
- P1T1143877
- CAS number
- 1239011-83-6
- InChI Key
- CQXYENUJCPYPTI-YXJUDSKISA-N
- InChI
- InChI=1S/C87H129N27O30S2/c1-40(2)67-84(143)103-49(23-25-61(89)117)70(129)98-42(4)69(128)104-54(34-64(121)122)77(136)101-50(24-26-63(119)120)71(130)97-41(3)68(127)99-47(16-10-28-95-86(91)92)72(131)100-48(17-11-29-96-87(93)94)74(133)111-58-38-145-146-39-59(82(141)110-57(37-115)80(139)108-55(35-65(123)124)78(137)105-52(79(138)113-67)31-43-13-6-5-7-14-43)112-73(132)46(15-8-9-27-88)102-83(142)60-18-12-30-114(60)85(144)56(36-66(125)126)109-76(135)53(33-62(90)118)107-75(134)51(106-81(58)140)32-44-19-21-45(116)22-20-44/h5-7,13-14,19-22,40-42,46-60,67,115-116H,8-12,15-18,23-39,88H2,1-4H3,(H2,89,117)(H2,90,118)(H,97,130)(H,98,129)(H,99,127)(H,100,131)(H,101,136)(H,102,142)(H,103,143)(H,104,128)(H,105,137)(H,106,140)(H,107,134)(H,108,139)(H,109,135)(H,110,141)(H,111,133)(H,112,132)(H,113,138)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H4,91,92,95)(H4,93,94,96)/t41-,42?,46?,47-,48?,49-,50-,51-,52-,53?,54-,55-,56-,57?,58-,59-,60-,67-/m0/s1
- IUPAC Name
- 3-[(1R,4S,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R,40S,43S,49S,52S,55S)-40-(4-aminobutyl)-28-benzyl-4,7-bis(3-carbamimidamidopropyl)-22-(2-carbamoylethyl)-52-(carbamoylmethyl)-16,31,49-tris(carboxymethyl)-34-(hydroxymethyl)-55-[(4-hydroxyphenyl)methyl]-10,19-dimethyl-3,6,9,12,15,18,21,24,27,30,33,36,39,42,48,51,54,57-octadecaoxo-25-(propan-2-yl)-59,60-dithia-2,5,8,11,14,17,20,23,26,29,32,35,38,41,47,50,53,56-octadecaazatricyclo[35.20.4.0^{43,47}]henhexacontan-13-yl]propanoic acid
- SMILES
- CC(C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N2
References
- General References
- Not Available
- External Links
- Not Available
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Withdrawn Treatment Heart Failure 1 1 Completed Treatment Healthy Volunteers (HV) 1 1 Withdrawn Treatment Healthy Volunteers (HV) 1
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
Property Value Source Water Solubility 0.357 mg/mL ALOGPS logP -1.5 ALOGPS logP -19 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 2.87 Chemaxon pKa (Strongest Basic) 12.19 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 37 Chemaxon Hydrogen Donor Count 32 Chemaxon Polar Surface Area 940.67 Å2 Chemaxon Rotatable Bond Count 32 Chemaxon Refractivity 528.21 m3·mol-1 Chemaxon Polarizability 203.7 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:58 / Updated at February 21, 2021 18:55