This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Samuraciclib
- DrugBank Accession Number
- DB16061
- Background
Samuraciclib is under investigation in clinical trial NCT03363893 (Modular Study to Evaluate CT7001 Alone in Cancer Patients With Advanced Malignancies).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Samuraciclib (DB16061)
- Weight
- Average: 394.523
Monoisotopic: 394.24810961 - Chemical Formula
- C22H30N6O
- Synonyms
- Samuraciclib
- External IDs
- CT-7001
- CT7001
- ICEC-0942
- ICEC0942
Pharmacology
- Indication
Not Available
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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
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 46D4HS9ODA
- CAS number
- 1805833-75-3
- InChI Key
- YCVGLKWJKIKVBI-MJGOQNOKSA-N
- InChI
- InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1
- IUPAC Name
- (3R,4R)-4-({[7-(benzylamino)-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}methyl)piperidin-3-ol
- SMILES
- CC(C)C1=C2N=C(NC[C@H]3CCNC[C@@H]3O)C=C(NCC3=CC=CC=C3)N2N=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 59053821
- ChEMBL
- CHEMBL4297488
- ZINC
- ZINC000584905775
- PDBe Ligand
- I74
- PDB Entries
- 5jq5 / 7b5o / 7b5q / 8p6v
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Not Yet Recruiting Treatment Breast Cancer 1 2 Recruiting Treatment Breast Cancer / Locally Advanced Breast Cancer (LABC) / Metastatic Breast Cancer 1 1, 2 Completed Treatment Advanced Malignant Solid Tumor 1 1, 2 Recruiting Treatment Breast Cancer / Locally Advanced Breast Cancer (LABC) / Metastatic Breast Cancer 1 1, 2 Recruiting Treatment Inoperable, Locally Advanced or Metastatic, ER-positive Breast Cancer 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 0.0141 mg/mL ALOGPS logP 2.86 ALOGPS logP 2.32 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 14.55 Chemaxon pKa (Strongest Basic) 9.73 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 86.51 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 128.77 m3·mol-1 Chemaxon Polarizability 45.77 Å3 Chemaxon Number of Rings 4 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
Drug created at December 15, 2020 18:03 / Updated at February 21, 2021 18:55