CFT7455   Click here for help

GtoPdb Ligand ID: 11961

Compound class: Synthetic organic
Comment: CFT7455 is a monofunctional IKZF1/3 degrader that was developed by C4 Therapeutics for potential to treat relapsed/refractory multiple myeloma. It is orally bioactive.
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 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 80.64
Molecular weight 469.2
XLogP 2.82
No. Lipinski's rules broken 0
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 O=C1CC[C@@H](C(=O)N1)n1c2ccc(c3c2c(c1=O)ccc3)Cc1ccc(cc1)CN1CCOCC1
Isomeric SMILES O=c1n([C@H]2CCC(=O)NC2=O)c2ccc(Cc3ccc(CN4CCOCC4)cc3)c3cccc1c23
InChI InChI=1S/C28H27N3O4/c32-25-11-10-24(27(33)29-25)31-23-9-8-20(21-2-1-3-22(26(21)23)28(31)34)16-18-4-6-19(7-5-18)17-30-12-14-35-15-13-30/h1-9,24H,10-17H2,(H,29,32,33)/t24-/m0/s1
InChI Key MUKCJOOKCZSQNW-DEOSSOPVSA-N
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups PROTACs, molecular glues and other degraders
IUPAC Name Click here for help
(3S)-3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
Database Links Click here for help
CAS Registry No. 2504235-67-8 (source: PubChem)
GtoPdb PubChem SID 464244102
PubChem CID 155207651
Search Google for chemical match using the InChIKey MUKCJOOKCZSQNW-DEOSSOPVSA-N
Search Google for chemicals with the same backbone MUKCJOOKCZSQNW
UniChem Compound Search for chemical match using the InChIKey MUKCJOOKCZSQNW-DEOSSOPVSA-N
UniChem Connectivity Search for chemical match using the InChIKey MUKCJOOKCZSQNW-DEOSSOPVSA-N