Reltecimod sodiumProduct ingredient for Reltecimod
- Name
- Reltecimod sodium
- Drug Entry
- Reltecimod
Reltecimod is under investigation in clinical trial NCT02469857 (Phase III Efficacy and Safety Study of AB103 in the Treatment of Patients With Necrotizing Soft Tissue Infections).
- Accession Number
- DBSALT003172
- Structure
Structure for Reltecimod sodium (DBSALT003172)
- Synonyms
- Not Available
- External IDs
- AB103 sodium
- UNII
- 4F6G4PH43M
- CAS Number
- 1943755-99-4
- Weight
- Average: 1059.18
Monoisotopic: 1058.47187708 - Chemical Formula
- C46H71N10NaO15S
- InChI Key
- GQYCKGDMCOZFKT-CHDMJDELSA-M
- InChI
- InChI=1S/C46H72N10O15S.Na/c1-22(2)18-30(52-39(63)29(15-17-72-8)50-43(67)34-10-9-16-56(34)45(69)33(21-57)54-37(61)24(5)47)42(66)55-36(23(3)4)44(68)48-25(6)38(62)51-31(19-27-11-13-28(58)14-12-27)41(65)53-32(20-35(59)60)40(64)49-26(7)46(70)71;/h11-14,22-26,29-34,36,57-58H,9-10,15-21,47H2,1-8H3,(H,48,68)(H,49,64)(H,50,67)(H,51,62)(H,52,63)(H,53,65)(H,54,61)(H,55,66)(H,59,60)(H,70,71);/q;+1/p-1/t24-,25+,26-,29+,30+,31+,32+,33+,34+,36+;/m1./s1
- IUPAC Name
- sodium (3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-aminopropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-4-methylpentanamido]-3-methylbutanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1R)-1-carboxyethyl]carbamoyl}propanoate
- SMILES
- [Na+].CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC([O-])=O)C(=O)N[C@H](C)C(O)=O
- External Links
- ChemSpider
- 59718469
- ChEMBL
- CHEMBL3989963
- Predicted Properties
Property Value Source Water Solubility 0.0349 mg/mL ALOGPS logP -2 ALOGPS logP -5.2 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 3.08 Chemaxon pKa (Strongest Basic) 8.07 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 16 Chemaxon Hydrogen Donor Count 12 Chemaxon Polar Surface Area 397.02 Å2 Chemaxon Rotatable Bond Count 29 Chemaxon Refractivity 268.64 m3·mol-1 Chemaxon Polarizability 105.01 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon