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Compound Detail

CHEMBL2041107

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O=C1C(N2CCN(c3ccccc3)CC2)=C(Br)C(=O)c2ncccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2041107
Phase Preclinical
Structure Type MOL
InChI Key JFAAHIZLAMXTNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.3
MW (Da)
2.89
ALogP
5
HBA
0
HBD
53.5
PSA (Ų)
0.78
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 C19H16BrN3O2
MW 398.26
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
22781704 10.1016/j.ejmech.2012.06.046 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine