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Compound Detail

CHEMBL3444212

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N#Cc1ccc(OC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nc1

Basic Information

ChEMBL ID CHEMBL3444212
Phase Preclinical
Structure Type MOL
InChI Key WVMULYKWFPTQMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
2.37
ALogP
6
HBA
0
HBD
84.7
PSA (Ų)
0.84
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 C19H17N3O4
MW 351.36
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 6
32078764 10.1021/acsinfecdis.9b00482 Plasmodium berghei 2
- 10.6019/CHEMBL3988442 Histidine--tRNA ligase 2
- 10.6019/CHEMBL3988442 Tyrosyl-tRNA synthetase, putative 2
- 10.6019/CHEMBL3988442 Mycobacterium tuberculosis 2
- 10.6019/CHEMBL3988442 Plasmodium falciparum 1
- 10.6019/CHEMBL3507680 Unchecked 1
- 10.6019/CHEMBL3988442 Chromo domain-containing protein 1 1
- 10.6019/CHEMBL3988442 Trypanosoma brucei 1
- 10.6019/CHEMBL3988442 Proteasome subunit beta 1
- 10.6019/CHEMBL3988442 Sialic acid-binding Ig-like lectin 9 1
- 10.6019/CHEMBL3988442 Arginase-2, mitochondrial 1
- 10.6019/CHEMBL3988442 Lysine--tRNA ligase 1
- 10.6019/CHEMBL3988442 Trypanosoma cruzi 1
- 10.6019/CHEMBL3988442 Polyketide synthase Pks13 1
- 10.6019/CHEMBL3988442 Ubiquitin-activating enzyme e1, putative 1
- 10.6019/CHEMBL3988442 Aspartate--tRNA(Asp/Asn) ligase 1
- 10.6019/CHEMBL3988442 Coenzyme A biosynthesis bifunctional protein CoaBC 1
32078764 10.1021/acsinfecdis.9b00482 Plasmodium falciparum 1
32078764 10.1021/acsinfecdis.9b00482 HepG2 1

Data from ChEMBL 36 via Core Engine