D-JNKI-1
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- D-JNKI-1
- DrugBank Accession Number
- DB05660
- Background
A synthetic, cell permeable peptide that blocks the MAPK-JNK signal pathway; has potential therapeutic value for long-term protection of both the morphological integrity and physiological function of the organ of Corti during times of oxidative stress.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 3823.498
Monoisotopic: 3821.221443857 - Chemical Formula
- C164H285N65O41
- Synonyms
- D-JNKI 1 peptide
- External IDs
- AM-111
- D-JNKI-1
- XG-102 C-terminal acid
Pharmacology
- Indication
Investigated for use/treatment in hearing loss.
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- Pharmacodynamics
Not Available
- Mechanism of action
AM-111 is an inhibitor of c-Jun N-terminal kinase-mediated apoptosis and inflammation.
- 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
- FU288768DP
- CAS number
- 1198367-70-2
- InChI Key
- HRMVIAFZYCCHGF-BMCUWHFPSA-N
- InChI
- InChI=1S/C164H285N65O41/c1-84(2)77-106(216-139(254)108(79-89-33-10-9-11-34-89)219-146(261)112-48-28-72-225(112)153(268)105(55-58-119(171)235)215-148(263)123(86(5)6)221-147(262)115-51-29-73-226(115)151(266)103(45-25-69-198-163(187)188)213-142(257)110(83-230)220-137(252)100(53-56-117(169)233)201-126(241)90(168)80-121(237)238)138(253)218-109(81-120(172)236)140(255)217-107(78-85(3)4)141(256)222-124(87(7)231)149(264)223-125(88(8)232)155(270)228-75-31-50-114(228)144(259)211-99(44-24-68-197-162(185)186)135(250)212-102(37-14-17-61-167)150(265)224-71-27-47-111(224)145(260)214-104(46-26-70-199-164(189)190)152(267)229-76-32-52-116(229)154(269)227-74-30-49-113(227)143(258)210-98(43-23-67-196-161(183)184)134(249)207-95(40-20-64-193-158(177)178)131(246)206-97(42-22-66-195-160(181)182)133(248)209-101(54-57-118(170)234)136(251)208-96(41-21-65-194-159(179)180)132(247)205-94(39-19-63-192-157(175)176)130(245)204-93(36-13-16-60-166)129(244)203-92(35-12-15-59-165)128(243)202-91(38-18-62-191-156(173)174)127(242)200-82-122(239)240/h9-11,33-34,84-88,90-116,123-125,230-232H,12-32,35-83,165-168H2,1-8H3,(H2,169,233)(H2,170,234)(H2,171,235)(H2,172,236)(H,200,242)(H,201,241)(H,202,243)(H,203,244)(H,204,245)(H,205,247)(H,206,246)(H,207,249)(H,208,251)(H,209,248)(H,210,258)(H,211,259)(H,212,250)(H,213,257)(H,214,260)(H,215,263)(H,216,254)(H,217,255)(H,218,253)(H,219,261)(H,220,252)(H,221,262)(H,222,256)(H,223,264)(H,237,238)(H,239,240)(H4,173,174,191)(H4,175,176,192)(H4,177,178,193)(H4,179,180,194)(H4,181,182,195)(H4,183,184,196)(H4,185,186,197)(H4,187,188,198)(H4,189,190,199)/t87-,88-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,123+,124+,125+/m0/s1
- IUPAC Name
- (3R)-3-amino-3-{[(1R)-1-{[(1R)-1-{[(2R)-1-[(2R)-2-{[(1R)-1-{[(2R)-1-[(2R)-2-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R,2S)-1-{[(2R,3S)-1-[(2R)-2-{[(1R)-1-{[(2R)-6-amino-1-[(2R)-2-{[(2R)-1-[(2R)-2-[(2R)-2-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-5-amino-1-{[(1R)-5-amino-1-{[(1R)-4-carbamimidamido-1-[(carboxymethyl)carbamoyl]butyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-4-carbamoyl-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}propanoic acid
- SMILES
- CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CC(O)=O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H]([C@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(O)=O
References
- General References
- Barkdull GC, Hondarrague Y, Meyer T, Harris JP, Keithley EM: AM-111 reduces hearing loss in a guinea pig model of acute labyrinthitis. Laryngoscope. 2007 Dec;117(12):2174-82. doi: 10.1097/MLG.0b013e3181461f92. [Article]
- External Links
- ChemSpider
- 64854389
- ChEMBL
- CHEMBL4297348
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Hearing loss or impairment 1 3 Terminated Treatment Hearing Loss, Idiopathic Sudden Sensorineural 1 2 Completed Treatment Hearing loss or impairment 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source logP -27 Chemaxon pKa (Strongest Basic) 12.8 Chemaxon Physiological Charge 11 Chemaxon Hydrogen Acceptor Count 72 Chemaxon Hydrogen Donor Count 64 Chemaxon Polar Surface Area 1789.09 Å2 Chemaxon Rotatable Bond Count 126 Chemaxon Refractivity 1059.99 m3·mol-1 Chemaxon Polarizability 408.22 Å3 Chemaxon Number of Rings 7 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 18, 2007 18:26 / Updated at May 10, 2021 12:36