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Compound Detail

CHEMBL2426493

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CN1CCC(N2CCN(C(=O)c3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)CC2)CC1

Basic Information

ChEMBL ID CHEMBL2426493
Phase Preclinical
Structure Type MOL
InChI Key TYNRILSGOVJYPH-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

467.7
MW (Da)
2.24
ALogP
5
HBA
0
HBD
50.3
PSA (Ų)
0.68
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 C27H41N5O2
MW 467.66
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -0.84

Activity Summary

IC50 3 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lethal(3)malignant brain tumor-like protein 3
CHEMBL1287623
IC50 6.11 6.095 770.0 2
Lethal(3)malignant brain tumor-like protein 1
CHEMBL1287622
IC50 5.48 5.48 3300.0 1

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 Scm-like with four MBT domains protein 1 1
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

Data from ChEMBL 36 via Core Engine