Siremadlin
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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
- Siremadlin
- DrugBank Accession Number
- DB16331
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 555.42
Monoisotopic: 554.1236087 - Chemical Formula
- C26H24Cl2N6O4
- Synonyms
- Siremadlin
- External IDs
- HDM 201
- NVP-HDM 201
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
- 0282IF4JC8
- CAS number
- 1448867-41-1
- InChI Key
- AGBSXNCBIWWLHD-FQEVSTJZSA-N
- InChI
- InChI=1S/C26H24Cl2N6O4/c1-13(2)33-21-19(30-22(33)17-11-29-26(38-5)31-23(17)37-4)25(36)34(18-10-16(28)12-32(3)24(18)35)20(21)14-6-8-15(27)9-7-14/h6-13,20H,1-5H3/t20-/m0/s1
- IUPAC Name
- 5-chloro-3-[(6S)-6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-4-oxo-1-(propan-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-d]imidazol-5-yl]-1-methyl-1,2-dihydropyridin-2-one
- SMILES
- COC1=NC(OC)=C(C=N1)C1=NC2=C([C@@H](N(C2=O)C2=CC(Cl)=CN(C)C2=O)C2=CC=C(Cl)C=C2)N1C(C)C
References
- General References
- Not Available
- External Links
- ChemSpider
- 58791434
- ChEMBL
- CHEMBL3653256
- PDBe Ligand
- 9QW
- PDB Entries
- 5oc8
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Recruiting Treatment Malignant Solid Neoplasms 1 1 Active Not Recruiting Treatment Acute Myeloid Leukemia / High-risk Myelodysplastic Syndrome (MDS) 1 1 Completed Treatment Advanced Malignant Neoplasm / Colorectal Cancer / Metastatic Cancer 1 1 Completed Treatment Advanced Solid and Hematological TP53wt Tumors 1 1 Completed Treatment Colorectal Cancer, Non-small Cell Lung Carcinoma (Adenocarcinoma), Triple Negative Breast Cancer, Renal Cell Carcinoma 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 0.00972 mg/mL ALOGPS logP 4.19 ALOGPS logP 4.14 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 11.77 Chemaxon pKa (Strongest Basic) 2.52 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 102.68 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 155.41 m3·mol-1 Chemaxon Polarizability 56 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 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 20:02 / Updated at February 21, 2021 18:55