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Compound Detail

CHEMBL2426471

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O=C(c1ccc(C(=O)N2CCC(N3CCC3)CC2)cc1)N1CCC(N2CCC2)CC1

Basic Information

ChEMBL ID CHEMBL2426471
Phase Preclinical
Structure Type MOL
InChI Key UAZNMBLSWRXTOZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

410.6
MW (Da)
2.31
ALogP
4
HBA
0
HBD
47.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34N4O2
MW 410.56
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.76

Activity Summary

IC50 2 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lethal(3)malignant brain tumor-like protein 3
CHEMBL1287623
IC50 6.46 6.43 350.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24040942 10.1021/jm400919p Lethal(3)malignant brain tumor-like protein 3 2
24040942 10.1021/jm400919p Lethal(3)malignant brain tumor-like protein 4 1
24040942 10.1021/jm400919p Lethal(3)malignant brain tumor-like protein 1 1
24040942 10.1021/jm400919p Lysine-specific demethylase 5A 1
24040942 10.1021/jm400919p PHD finger protein 23 1
24040942 10.1021/jm400919p E3 ubiquitin-protein ligase UHRF1 1
24040942 10.1021/jm400919p TP53-binding protein 1 1
24040942 10.1021/jm400919p Chromobox protein homolog 7 1
24040942 10.1021/jm400919p MBT domain-containing protein 1 1
24040942 10.1021/jm400919p Scm-like with four MBT domains protein 1 1

Data from ChEMBL 36 via Core Engine