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Compound Detail

CHEMBL3220194

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CNC1CCN(C(=O)c2cccc(Br)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3220194
Phase Preclinical
Structure Type MOL
InChI Key YCILHTXBJHHQPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

297.2
MW (Da)
2.27
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.91
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 C13H17BrN2O
MW 297.20
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.38

Literature References

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