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Compound Detail

CHEMBL3471760

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CC(C)CN1Cc2c(C(=O)N(C)C)ncn2-c2ccccc2S1(=O)=O

Basic Information

ChEMBL ID CHEMBL3471760
Phase Preclinical
Structure Type MOL
InChI Key QTRZBYHSKHQVLE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
1.73
ALogP
5
HBA
0
HBD
75.5
PSA (Ų)
0.83
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 C17H22N4O3S
MW 362.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 5
- 10.6019/CHEMBL3988442 Trypanosoma cruzi 4
32078764 10.1021/acsinfecdis.9b00482 Plasmodium berghei 2
- 10.6019/CHEMBL3988442 Mycobacterium tuberculosis 2
- 10.6019/CHEMBL3988442 Histidine--tRNA ligase 2
- 10.6019/CHEMBL3988442 Tyrosyl-tRNA synthetase, putative 2
- 10.6019/CHEMBL3988442 Chromo domain-containing protein 1 1
- 10.6019/CHEMBL3988442 Proteasome subunit beta 1
- 10.6019/CHEMBL3988442 Lysine--tRNA ligase 1
- 10.6019/CHEMBL3988442 Shiga toxin 2 1
- 10.6019/CHEMBL3988442 Arginase-2, mitochondrial 1
- 10.6019/CHEMBL3988442 Leishmania donovani 1
- 10.6019/CHEMBL3988442 Aspartate--tRNA(Asp/Asn) ligase 1
- 10.6019/CHEMBL3988442 AMP-activated protein kinase, AMPK 1
- 10.6019/CHEMBL3988442 Coenzyme A biosynthesis bifunctional protein CoaBC 1
- 10.6019/CHEMBL3507680 Unchecked 1
- 10.6019/CHEMBL3988442 Protein translocase subunit SecA 1
- 10.6019/CHEMBL3988442 Tryptophan--tRNA ligase 1
32078764 10.1021/acsinfecdis.9b00482 Plasmodium falciparum 1
32078764 10.1021/acsinfecdis.9b00482 HepG2 1

Data from ChEMBL 36 via Core Engine