PEN-866
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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
- PEN-866
- DrugBank Accession Number
- DB16186
- Background
PEN-866 is under investigation in clinical trial NCT03221400 (PEN-866 in Patients With Advanced Solid Malignancies).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 879.971
Monoisotopic: 879.359176186 - Chemical Formula
- C49H49N7O9
- Synonyms
- Hsp90-targeted sn-38 conjugate pen-866
- External IDs
- HDC SN-38
- PEN-866
- STA 12-8666
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
- 56DL1J49LR
- CAS number
- 1472614-83-7
- InChI Key
- QTPZAEAYDWMVJO-GGCSAXROSA-N
- InChI
- InChI=1S/C49H49N7O9/c1-5-31-33-20-30(8-9-38(33)50-43-35(31)24-55-40(43)22-37-36(45(55)59)25-64-46(60)49(37,63)6-2)65-48(62)54-16-12-27(13-17-54)11-15-53-18-14-28-19-29(7-10-39(28)53)56-44(51-52-47(56)61)34-21-32(26(3)4)41(57)23-42(34)58/h7-10,14,18-23,26-27,57-58,63H,5-6,11-13,15-17,24-25H2,1-4H3,(H,52,61)/t49-/m0/s1
- IUPAC Name
- (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-7-yl 4-[2-(5-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yl}-1H-indol-1-yl)ethyl]piperidine-1-carboxylate
- SMILES
- CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=C(OC(=O)N3CCC(CCN4C=CC5=CC(=CC=C45)N4C(=O)NN=C4C4=CC(C(C)C)=C(O)C=C4O)CC3)C=C12
References
- General References
- Not Available
- External Links
- ChemSpider
- 81367702
- ChEMBL
- CHEMBL4297475
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1, 2 Not Yet Recruiting Treatment Ewing's Sarcoma / Rhabdomyosarcomas 1 1, 2 Recruiting Treatment Adenocarcinomas of the Gastroesophageal Junction / Advanced Malignant Neoplasm / Anal Squamous Cell Carcinoma / Carcinoma / Cervical Squamous Cell Carcinoma / Endometrial Adenocarcinomas / Gastric Adenocarcinoma / Gastric Cancer / Neoplasm / Pancreatic Adenocarcinoma / Pancreatic Ductal Adenocarcinoma (PDAC) / Penile squamous cell carcinoma / Small Cell Lung Cancer (SCLC) / Solid Carcinoma / Solid Tumors / Squamous Cell Carcinoma (SCC) / Squamous Cell Carcinoma (SCC) of the Vulva 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 Water Solubility 0.00983 mg/mL ALOGPS logP 5.83 ALOGPS logP 6.7 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 8.53 Chemaxon pKa (Strongest Basic) 3.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 199.36 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 241.34 m3·mol-1 Chemaxon Polarizability 95.68 Å3 Chemaxon Number of Rings 10 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 15, 2020 18:15 / Updated at December 20, 2020 03:38