This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- CTCE-9908
- DrugBank Accession Number
- DB05625
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for CTCE-9908 (DB05625)
- Weight
- Average: 1927.288
Monoisotopic: 1926.116314101 - Chemical Formula
- C86H147N27O23
- Synonyms
- L-Lysinamide,N2,N6-bis(L-lysylglycyl-L-valyl-L-seryl-L-leucyl-L-seryl-L-tyrosyl-L-arginyl)-
- SDF-1 (108) Lysine Dlmer
- External IDs
- CTCE 9908
- CTCE-9908
- CTCE9908
- PTX-9908 FREE BASE
Pharmacology
- Indication
Investigated for use/treatment in cancer/tumors (unspecified), lung cancer, and sarcoma.
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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
Products
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Ingredient UNII CAS InChI Key PTX-9908 Not Available Not Available Not applicable
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- NF0BX95A31
- CAS number
- 1030384-98-5
- InChI Key
- VUYRSKROGTWHDC-HZGLMRDYSA-N
- InChI
- InChI=1S/C86H147N27O23/c1-45(2)35-58(104-81(133)64(43-116)110-83(135)68(47(5)6)112-66(120)39-99-71(123)53(89)17-9-12-30-87)75(127)108-62(41-114)79(131)106-60(37-49-22-26-51(118)27-23-49)77(129)102-56(20-15-33-97-85(92)93)73(125)96-32-14-11-19-55(70(91)122)101-74(126)57(21-16-34-98-86(94)95)103-78(130)61(38-50-24-28-52(119)29-25-50)107-80(132)63(42-115)109-76(128)59(36-46(3)4)105-82(134)65(44-117)111-84(136)69(48(7)8)113-67(121)40-100-72(124)54(90)18-10-13-31-88/h22-29,45-48,53-65,68-69,114-119H,9-21,30-44,87-90H2,1-8H3,(H2,91,122)(H,96,125)(H,99,123)(H,100,124)(H,101,126)(H,102,129)(H,103,130)(H,104,133)(H,105,134)(H,106,131)(H,107,132)(H,108,127)(H,109,128)(H,110,135)(H,111,136)(H,112,120)(H,113,121)(H4,92,93,97)(H4,94,95,98)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,68-,69-/m0/s1
- IUPAC Name
- (2S)-2,6-bis[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2,6-diaminohexanamido]acetamido}-3-methylbutanamido]-3-hydroxypropanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]pentanamido]hexanamide
- SMILES
- CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 17315238
- ChEMBL
- CHEMBL3544949
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1, 2 Recruiting Treatment Hepatocellular Carcinoma 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 Water Solubility 0.0534 mg/mL ALOGPS logP -0.95 ALOGPS logP -11 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 9.18 Chemaxon pKa (Strongest Basic) 12.26 Chemaxon Physiological Charge 6 Chemaxon Hydrogen Acceptor Count 33 Chemaxon Hydrogen Donor Count 33 Chemaxon Polar Surface Area 857.95 Å2 Chemaxon Rotatable Bond Count 67 Chemaxon Refractivity 513.59 m3·mol-1 Chemaxon Polarizability 205.19 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 - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 18, 2007 18:26 / Updated at September 28, 2023 05:40