NAV

Pelcitoclax

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

Identification

Generic Name
Pelcitoclax
DrugBank Accession Number
DB16285
Background

Pelcitoclax is under investigation in clinical trial NCT04210037 (Study of Combination APG-1252 Plus Paclitaxel in Patients With Relapsed/refractory Small Cell Lung Cancer).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 1281.84
Monoisotopic: 1280.303469
Chemical Formula
C57H66ClF4N6O11PS4
Synonyms
  • Pelcitoclax
External IDs
  • APG 1252
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Pharmacology

Indication

Not Available

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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
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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
317UBD60ML
CAS number
1619923-36-2
InChI Key
QIOCQCYXBYUYLH-YACUFSJGSA-N
InChI
InChI=1S/C57H66ClF4N6O11PS4/c1-38(2)68-39(3)55(82(4,73)74)53(54(68)40-11-13-43(58)14-12-40)42-33-44(59)35-48(34-42)67-29-27-66(28-30-67)47-17-15-45(16-18-47)64-84(77,78)50-19-20-51(52(36-50)83(75,76)57(60,61)62)63-46(37-81-49-9-6-5-7-10-49)23-26-65-24-21-41(22-25-65)56(69)79-31-8-32-80(70,71)72/h5-7,9-20,33-36,38,41,46,63-64H,8,21-32,37H2,1-4H3,(H2,70,71,72)/t46-/m1/s1
IUPAC Name
(3-{1-[(3R)-3-[(4-{[4-(4-{3-[2-(4-chlorophenyl)-4-methanesulfonyl-5-methyl-1-(propan-2-yl)-1H-pyrrol-3-yl]-5-fluorophenyl}piperazin-1-yl)phenyl]sulfamoyl}-2-trifluoromethanesulfonylphenyl)amino]-4-(phenylsulfanyl)butyl]piperidine-4-carbonyloxy}propyl)phosphonic acid
SMILES
CC(C)N1C(C)=C(C(=C1C1=CC=C(Cl)C=C1)C1=CC(=CC(F)=C1)N1CCN(CC1)C1=CC=C(NS(=O)(=O)C2=CC=C(N[C@H](CCN3CCC(CC3)C(=O)OCCCP(O)(O)=O)CSC3=CC=CC=C3)C(=C2)S(=O)(=O)C(F)(F)F)C=C1)S(C)(=O)=O

References

General References
Not Available
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentSmall Cell Lung Cancer (SCLC) / Solid Tumors1
1RecruitingTreatmentAdvanced Endometrial Carcinoma / Metastatic Endometrial carcinoma / Metastatic Fallopian Tube Carcinoma / Metastatic Platinum-Resistant Ovarian Carcinoma / Metastatic Primary Peritoneal Carcinoma / Recurrent Endometrial Carcinoma / Recurrent Fallopian Tube Carcinoma / Recurrent Platinum-Resistant Ovarian Carcinoma / Recurrent Primary Peritoneal Carcinoma / Stage III Uterine Corpus Cancer AJCC v8 / Stage IV Uterine Corpus Cancer AJCC v81
1RecruitingTreatmentEGFR Positive Non-small Cell Lung Cancer1
1RecruitingTreatmentNeuroendocrine Tumors1
1TerminatedTreatmentSmall Cell Lung Cancer and Other Solid Tumors1

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 Solubility0.00317 mg/mLALOGPS
logP6.85ALOGPS
logP7.7Chemaxon
logS-5.6ALOGPS
pKa (Strongest Acidic)1.8Chemaxon
pKa (Strongest Basic)7.75Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count14Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area224.96 Å2Chemaxon
Rotatable Bond Count24Chemaxon
Refractivity324 m3·mol-1Chemaxon
Polarizability129.6 Å3Chemaxon
Number of Rings8Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0089-3790000000-d083eb7969dc17209458
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-053u-2930000000-e48dd4f0cdefe8725145
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9340000000-0669b41f12ebbb943745
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-3930000000-e2e3fa75fbbff7359f42
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00si-8950000000-3a41c8db30f6767dcd1f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fb9-4590010000-9d549f309ba6fa58d88b
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:17 / Updated at February 21, 2021 18:55