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Compound Detail

CHEMBL4642693

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O=C1CCC(N2C(=O)c3ccc(NCCOCCOCCOCCOCCC(=O)N4CCN(c5ccc(C(=O)Nc6n[nH]c7ccc(Cc8cc(F)cc(F)c8)cc67)c(NC6CCOCC6)c5)CC4)cc3C2=O)C(=O)N1

Basic Information

ChEMBL ID CHEMBL4642693
Phase Preclinical
Structure Type MOL
InChI Key WZZQEDKZQHBYFG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1050.1
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C54H61F2N9O11
MW 1050.13

Activity Summary

IC50 1 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
KM12
CHEMBL614709
IC50 8.8 8.8 1.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
KM12 IC50 = 1.6 nM 8.8 Antiproliferative activity against human KM12 cells expressing TPM3-TRKA assesse... 32550985

Literature References

PubMed DOI Target Context # Activities
32550985 10.1021/acsmedchemlett.0c00235 KM12 1

Data from ChEMBL 36 via Core Engine