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Compound Detail

CHEMBL3465750

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Cc1cc(Br)ccc1C(=O)Nc1c(C(N)=O)n[nH]c1C

Basic Information

ChEMBL ID CHEMBL3465750
Phase Preclinical
Structure Type MOL
InChI Key HRIWITHXCLQASF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
18
Publications
0
Known Names

Molecular Properties

337.2
MW (Da)
2.14
ALogP
3
HBA
3
HBD
100.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13BrN4O2
MW 337.18
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.94

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 3
32078764 10.1021/acsinfecdis.9b00482 Plasmodium berghei 2
32078764 10.1021/acsinfecdis.9b00482 Plasmodium falciparum 2
- 10.6019/CHEMBL3988442 Histidine--tRNA ligase 2
- 10.6019/CHEMBL3988442 Mycobacterium tuberculosis 2
- 10.6019/CHEMBL3988442 Trypanosoma cruzi 1
- 10.6019/CHEMBL3988442 AMP-activated protein kinase, AMPK 1
- 10.6019/CHEMBL3988442 Coenzyme A biosynthesis bifunctional protein CoaBC 1
- 10.6019/CHEMBL3988442 ClpP1P2 1
- 10.6019/CHEMBL3988442 Polyketide synthase Pks13 1
- 10.6019/CHEMBL3988442 Leishmania donovani 1
- 10.6019/CHEMBL3988442 Tryptophan--tRNA ligase 1
- 10.6019/CHEMBL3988442 Trypanosoma brucei 1
- 10.6019/CHEMBL3507680 Unchecked 1
- 10.6019/CHEMBL3988442 Lysine--tRNA ligase 1
32078764 10.1021/acsinfecdis.9b00482 HepG2 1
30091915 10.1021/acs.jmedchem.8b00669 Unchecked 1
- 10.6019/CHEMBL3988442 Methionyl-tRNA synthetase, putative 1

Data from ChEMBL 36 via Core Engine