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Compound Detail

CHEMBL2426371

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O=C(c1cccc(Br)c1)N1CC2CCC(C1)C2N1CCCC1

Basic Information

ChEMBL ID CHEMBL2426371
Phase Preclinical
Structure Type MOL
InChI Key YMTXFWXRZYKGBA-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

363.3
MW (Da)
3.40
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23BrN2O
MW 363.30
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.72

Activity Summary

IC50 4 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lethal(3)malignant brain tumor-like protein 3
CHEMBL1287623
IC50 5.5 5.47 3200.0 2
Lethal(3)malignant brain tumor-like protein 1
CHEMBL1287622
IC50 4.69 4.66 20600.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C1MD00195G Lethal(3)malignant brain tumor-like protein 4 2
- 10.1039/C1MD00195G MBT domain-containing protein 1 2
- 10.1039/C1MD00195G Scm-like with four MBT domains protein 1 2
- 10.1039/C1MD00195G Chromobox protein homolog 7 2
24040942 10.1021/jm400919p Lethal(3)malignant brain tumor-like protein 1 1
24040942 10.1021/jm400919p Lethal(3)malignant brain tumor-like protein 3 1
- 10.1039/C1MD00195G Lethal(3)malignant brain tumor-like protein 3 1
- 10.1039/C1MD00195G Lethal(3)malignant brain tumor-like protein 1 1

Data from ChEMBL 36 via Core Engine