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

Identification

Generic Name
Milciclib Maleate
DrugBank Accession Number
DB16232
Background

Milciclib Maleate is under investigation in clinical trial NCT01301391 (Study of Oral PHA-848125AC in Patients With Malignant Thymoma Previously Treated With Multiple Lines of Chemotherapy).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 460.586
Monoisotopic: 460.269907682
Chemical Formula
C25H32N8O
Synonyms
  • Milciclib
External IDs
  • PHA 848125
  • PHA-848125

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
688000M8S8
CAS number
802539-81-7
InChI Key
RXZMYLDMFYNEIM-UHFFFAOYSA-N
InChI
InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)
IUPAC Name
N,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-1H,4H,5H-pyrazolo[4,3-h]quinazoline-3-carboxamide
SMILES
CNC(=O)C1=NN(C)C2=C1C(C)(C)CC1=C2N=C(NC2=CC=C(C=C2)N2CCN(C)CC2)N=C1

References

General References
Not Available
ChemSpider
16788113
BindingDB
31545
ChEMBL
CHEMBL564829
ZINC
ZINC000053119602
PDBe Ligand
P48
PDB Entries
2wih / 5vc6 / 5vd1

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentHepatocellular Carcinoma1
2TerminatedTreatmentMalignant Thymoma1
2TerminatedTreatmentThymic Carcinoma1

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 Solubility0.0994 mg/mLALOGPS
logP3.15ALOGPS
logP3.11ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)13.96ChemAxon
pKa (Strongest Basic)7.96ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area91.21 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity146.09 m3·mol-1ChemAxon
Polarizability52.87 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 03:39