DOTA-Arg-Pro-Lys-Pro-Gln-Gln-Phe-2Thi-Gly-Leu-Met(O2)-NH2 Actinium AC-225
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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
- DOTA-Arg-Pro-Lys-Pro-Gln-Gln-Phe-2Thi-Gly-Leu-Met(O2)-NH2 Actinium AC-225
- DrugBank Accession Number
- DB18208
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 1994.07
Monoisotopic: 1992.854291484 - Chemical Formula
- C77H119AcN22O22S2
- Synonyms
- [225Ac]Butanamide, N2-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-L-arginyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-3-(2-thienyl)-L-alanylglycyl-L-leucyl-2-amino-4-(methylsulfonyl)-, (2S)-
- DOTA-2Thi-Met(O2)-Substance P analog Actinium AC-225
- H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-2Thi-Gly-Leu-Met(O2)-NH2-DOTA-225-actinium
Pharmacology
- Indication
Not Available
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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
- 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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 44S7GN2UDJ
- CAS number
- 2230254-48-3
- InChI Key
- FMQURNZNWLIWQS-BCAUDCSCSA-K
- InChI
- InChI=1S/C77H122N22O22S2.Ac/c1-47(2)39-55(71(114)88-50(67(81)110)24-38-123(3,120)121)87-62(102)42-85-68(111)57(41-49-15-12-37-122-49)93-72(115)56(40-48-13-5-4-6-14-48)92-70(113)51(20-22-60(79)100)89-69(112)52(21-23-61(80)101)90-73(116)58-18-10-28-99(58)76(119)54(16-7-8-25-78)91-74(117)59-19-11-27-98(59)75(118)53(17-9-26-84-77(82)83)86-63(103)43-94-29-31-95(44-64(104)105)33-35-97(46-66(108)109)36-34-96(32-30-94)45-65(106)107;/h4-6,12-15,37,47,50-59H,7-11,16-36,38-46,78H2,1-3H3,(H2,79,100)(H2,80,101)(H2,81,110)(H,85,111)(H,86,103)(H,87,102)(H,88,114)(H,89,112)(H,90,116)(H,91,117)(H,92,113)(H,93,115)(H,104,105)(H,106,107)(H,108,109)(H4,82,83,84);/q;+3/p-3/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-;/m0./s1/i;1-2
- IUPAC Name
- (225Ac)actinium(3+) 2-[4-({[(2S)-1-[(2S)-2-{[(2S)-6-amino-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-methanesulfonylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-(thiophen-2-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}propyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}methyl)-7,10-bis(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetate
- SMILES
- [225Ac+3].CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC1=CC=CS1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O
References
- General References
- Not Available
- External Links
- Not Available
Clinical Trials
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 logP -15 Chemaxon pKa (Strongest Acidic) 0.63 Chemaxon pKa (Strongest Basic) 11.92 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 30 Chemaxon Hydrogen Donor Count 16 Chemaxon Polar Surface Area 687.2 Å2 Chemaxon Rotatable Bond Count 51 Chemaxon Refractivity 486.38 m3·mol-1 Chemaxon Polarizability 179.14 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 13, 2023 21:01 / Updated at February 05, 2024 00:29