This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Nedisertib
DrugBank Accession Number
DB16252
Background

Nedisertib is under investigation in clinical trial NCT03770689 (Study of M3814 in Combination With Capecitabine and Radiotherapy in Rectal Cancer).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 481.91
Monoisotopic: 481.1316954
Chemical Formula
C24H21ClFN5O3
Synonyms
Not Available
External IDs
  • M-3814
  • M3814
  • MSC 2490484A
  • MSC-2490484A
  • MSC2490484A

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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
Adverseeffects
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With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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Improve decision support & research outcomes with our structured adverse effects data.
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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
GN429E725A
CAS number
1637542-33-6
InChI Key
MOWXJLUYGFNTAL-DEOSSOPVSA-N
InChI
InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1
IUPAC Name
(S)-{2-chloro-4-fluoro-5-[7-(morpholin-4-yl)quinazolin-4-yl]phenyl}(6-methoxypyridazin-3-yl)methanol
SMILES
COC1=NN=C(C=C1)[C@@H](O)C1=C(Cl)C=C(F)C(=C1)C1=NC=NC2=C1C=CC(=C2)N1CCOCC1

References

General References
Not Available
ChemSpider
67896524
ChEMBL
CHEMBL4297629

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentSolid Tumors, Advanced Solid Tumors1
1CompletedOtherHealthy Subjects (HS)1
1CompletedTreatmentChronic Lymphocytic Leukemia (CLL) / Solid Tumors, Advanced Solid Tumors1
1RecruitingTreatmentAdvanced Head and Neck Squamous Cell Carcinoma / Advanced Hypopharyngeal Squamous Cell Carcinoma / Advanced Laryngeal Squamous Cell Carcinoma / Advanced Oral Cavity Squamous Cell Carcinoma / Advanced Oropharyngeal Squamous Cell Carcinoma / Clinical Stage III HPV-Mediated (p16-Positive) Oropharyngeal Carcinoma AJCC v8 / Pathologic Stage III HPV-Mediated (p16-Positive) Oropharyngeal Carcinoma AJCC v8 / Stage III Hypopharyngeal Carcinoma AJCC v8 / Stage III Laryngeal Cancer AJCC v8 / Stage III Lip and Oral Cavity Cancer AJCC v8 / Stage III Oropharyngeal (p16-Negative) Carcinoma AJCC v8 / Stage IVA Hypopharyngeal Carcinoma AJCC v8 / Stage IVA Laryngeal Cancer AJCC v8 / Stage IVA Lip and Oral Cavity Cancer AJCC v8 / Stage IVA Oropharyngeal (p16-Negative) Carcinoma AJCC v8 / Stage IVB Hypopharyngeal Carcinoma AJCC v8 / Stage IVB Laryngeal Cancer AJCC v8 / Stage IVB Lip and Oral Cavity Cancer AJCC v8 / Stage IVB Oropharyngeal (p16-Negative) Carcinoma AJCC v81
1RecruitingTreatmentFallopian Tube Clear Cell Adenocarcinoma / Fallopian Tube Endometrioid Adenocarcinoma / Fallopian Tube Mucinous Adenocarcinoma / Fallopian Tube Transitional Cell Carcinoma / FIGO Grade 1 Endometrial Endometrioid Adenocarcinoma / FIGO Grade 2 Endometrial Endometrioid Adenocarcinoma / High Grade Endometrial Endometrioid Adenocarcinoma / High Grade Fallopian Tube Serous Adenocarcinoma / High Grade Ovarian Serous Adenocarcinoma / Ovarian Seromucinous Carcinoma / Platinum-Sensitive Ovarian Carcinoma / Primary Peritoneal High Grade Serous Adenocarcinoma / Primary Peritoneal Transitional Cell Carcinoma / Primary Peritoneal Undifferentiated Carcinoma / Recurrent Fallopian Tube Carcinoma / Recurrent Low Grade Fallopian Tube Serous Adenocarcinoma / Recurrent Low Grade Ovarian Serous Adenocarcinoma / Recurrent Ovarian Carcinoma / Recurrent Ovarian Clear Cell Adenocarcinoma / Recurrent Ovarian Endometrioid Adenocarcinoma / Recurrent Ovarian Mucinous Adenocarcinoma / Recurrent Ovarian Transitional Cell Carcinoma / Recurrent Primary Peritoneal Carcinoma / Recurrent Primary Peritoneal Low Grade Serous Adenocarcinoma / Undifferentiated Fallopian Tube Carcinoma / Undifferentiated Ovarian Carcinoma1
1RecruitingTreatmentGlioblastoma Multiforme (GBM) / Gliosarcoma1
1RecruitingTreatmentNeuroendocrine Neoplasms1
1RecruitingTreatmentOncology / Tumors, Solid1
1SuspendedTreatmentAcute, recurrent Myeloid Leukemia / Refractory Acute Myelogenous Leukemia (AML)1
1TerminatedTreatmentSmall Cell Lung Cancer (SCLC)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
PropertyValueSource
Water Solubility0.031 mg/mLALOGPS
logP3.52ALOGPS
logP3.58ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)12.6ChemAxon
pKa (Strongest Basic)3.08ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area93.49 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity127.22 m3·mol-1ChemAxon
Polarizability47.89 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at December 15, 2020 18:16 / Updated at December 20, 2020 03:40