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Compound Detail

CHEMBL3446136

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Cc1ccc(C(=O)Nc2c(C(=O)N(C)C)nn(C)c2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3446136
Phase Preclinical
Structure Type MOL
InChI Key CYMGAJJMNAAPAG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
1.99
ALogP
4
HBA
1
HBD
67.2
PSA (Ų)
0.94
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 C16H20N4O2
MW 300.36
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.89

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 Polyketide synthase Pks13 1
- 10.6019/CHEMBL3988442 Trypanosoma cruzi 1
- 10.6019/CHEMBL3988442 Mycobacterium tuberculosis 1
- 10.6019/CHEMBL3988442 Coenzyme A biosynthesis bifunctional protein CoaBC 1
- 10.6019/CHEMBL3988442 Trypanosoma brucei 1
- 10.6019/CHEMBL3988442 Lysine--tRNA ligase 1
- 10.6019/CHEMBL3988442 Leishmania donovani 1
- 10.6019/CHEMBL3988442 Tryptophan--tRNA ligase 1
- 10.6019/CHEMBL3988442 ClpP1P2 1
- 10.6019/CHEMBL3507680 Unchecked 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