potrasertib   Click here for help

GtoPdb Ligand ID: 13216

Synonyms: example 77 [WO2018090939]
Compound class: Synthetic organic
Comment: The chemical structure for potrasertib was obtained from proposed INN list 130 (Feb. 2024), in which the compound is described as a serine/ threonine kinase inhibitor with antineoplastic action. Structure match in patents indicates that potrasertib is a Wee1 kinase inhibitor [1-2] (assignee Impact Therapeutics). Impact Therapeutics' pipeline declares one Wee1 inhibitor with code IMP7068, so this might be potrasertib.
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the CDK toolkit. All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 79.14
Molecular weight 565.5
XLogP 3.1
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES CC1=CC(=CC=C1N2C[C@H](C)N(C)[C@H](C)C2)NC3=NC4=C(C=N3)C(=O)N(C5=C(C=CC=C5Cl)Cl)C6=NCCN46
Isomeric SMILES ClC1=C(C(=CC=C1)Cl)N2C=3N(C4=C(C2=O)C=NC(=N4)NC5=CC(=C(C=C5)N6C[C@H](N([C@H](C6)C)C)C)C)CCN3
InChI InChI=1S/C28H30Cl2N8O/c1-16-12-19(8-9-23(16)36-14-17(2)35(4)18(3)15-36)33-27-32-13-20-25(34-27)37-11-10-31-28(37)38(26(20)39)24-21(29)6-5-7-22(24)30/h5-9,12-13,17-18H,10-11,14-15H2,1-4H3,(H,32,33,34)/t17-,18+
InChI Key BNVDJVMTLDUCGH-HDICACEKSA-N
No information available.
Summary of Clinical Use Click here for help
IMP7068 is an oncology clinical candidate.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT04768868 The Safety and Pharmacokinetics Preliminary Efficacy of IMP7068 in Patients With Advanced Solid Tumors Phase 1 Interventional Impact Therapeutics, Inc.