PTX-100
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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
- PTX-100
- DrugBank Accession Number
- DB18125
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 441.532
Monoisotopic: 441.237604498 - Chemical Formula
- C23H31N5O4
- Synonyms
- 2-{[2-benzyl-4-(5-methyl-3H-imidazol-4-ylmethyl)-3-oxo-piperazine-1-carbonyl]- amino}-4methyl-pentanoic acid
- GGTI-2418
- External IDs
- GGTI 2418
- GGTI-2418
- GGTI2418
- PTX 100
- PTX-100
- PTX100
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
- M67G28K74K
- CAS number
- 501010-06-6
- InChI Key
- COLCNDRDBCLVOC-ICSRJNTNSA-N
- InChI
- InChI=1S/C23H31N5O4/c1-15(2)11-18(22(30)31)26-23(32)28-10-9-27(13-19-16(3)24-14-25-19)21(29)20(28)12-17-7-5-4-6-8-17/h4-8,14-15,18,20H,9-13H2,1-3H3,(H,24,25)(H,26,32)(H,30,31)/t18-,20+/m0/s1
- IUPAC Name
- (2S)-2-{[(2S)-2-benzyl-4-[(4-methyl-1H-imidazol-5-yl)methyl]-3-oxopiperazine-1-carbonyl]amino}-4-methylpentanoic acid
- SMILES
- CC(C)C[C@H](NC(=O)N1CCN(CC2=C(C)N=CN2)C(=O)[C@@H]1CC1=CC=CC=C1)C(O)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 9714256
- BindingDB
- 50496833
- ChEMBL
- CHEMBL3218390
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Recruiting Treatment Advanced Malignant Neoplasm / Peripheral T-Cell Lymphoma (PTCL) 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 logP 0.18 Chemaxon pKa (Strongest Acidic) 3.98 Chemaxon pKa (Strongest Basic) 6.48 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 118.63 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 118.97 m3·mol-1 Chemaxon Polarizability 46.75 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 12, 2023 17:17 / Updated at September 12, 2023 18:34