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Compound Detail

CHEMBL3469821

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CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1

Basic Information

ChEMBL ID CHEMBL3469821
Phase Preclinical
Structure Type MOL
InChI Key WOHBKXJMCPVSCK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

306.8
MW (Da)
3.48
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16ClFN2O
MW 306.77
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.06

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 7
- 10.6019/CHEMBL3988442 Tyrosyl-tRNA synthetase, putative 2
- 10.6019/CHEMBL3988442 Mycobacterium tuberculosis 2
- 10.6019/CHEMBL3988442 Histidine--tRNA ligase 2
32078764 10.1021/acsinfecdis.9b00482 Plasmodium falciparum 2
32078764 10.1021/acsinfecdis.9b00482 Plasmodium berghei 2
- 10.6019/CHEMBL3988442 Plasmodium falciparum 1
- 10.6019/CHEMBL3988442 Methionyl-tRNA synthetase, putative 1
- 10.6019/CHEMBL3988442 Proteasome subunit beta 1
- 10.6019/CHEMBL3988442 Polyketide synthase Pks13 1
- 10.6019/CHEMBL3988442 Arginase-2, mitochondrial 1
- 10.6019/CHEMBL3988442 Lysine--tRNA ligase 1
- 10.6019/CHEMBL3988442 Aspartate--tRNA(Asp/Asn) ligase 1
- 10.6019/CHEMBL3988442 Chromo domain-containing protein 1 1
- 10.6019/CHEMBL3988442 ClpP1P2 1
- 10.6019/CHEMBL3507680 Unchecked 1
- 10.6019/CHEMBL3988442 Protein translocase subunit SecA 1
- 10.6019/CHEMBL3988442 Leishmania donovani 1
- 10.6019/CHEMBL3988442 Shiga toxin 2 1
32078764 10.1021/acsinfecdis.9b00482 HepG2 1

Data from ChEMBL 36 via Core Engine