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Compound Detail

CHEMBL3220196

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C[N+]1(C2CCN(C(=O)c3cccc(Br)c3)CC2)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3220196
Phase Preclinical
Structure Type MOL
InChI Key AHBCBXCHPAFDOS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

352.3
MW (Da)
3.29
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.75
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 C17H24BrN2O+
MW 352.30
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.76

Literature References

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

Data from ChEMBL 36 via Core Engine