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Compound Detail

CHEMBL3471728

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O=C(Nc1cccnc1)[C@H]1C[C@@H]2CN(C(=O)NC3CCCC3)C[C@H]1O2

Basic Information

ChEMBL ID CHEMBL3471728
Phase Preclinical
Structure Type MOL
InChI Key ZHNLSOISQREYSD-OWCLPIDISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
1.76
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.88
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 C18H24N4O3
MW 344.42
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 5
- 10.6019/CHEMBL3988442 Trypanosoma cruzi 4
- 10.6019/CHEMBL3988442 Mycobacterium tuberculosis 2
- 10.6019/CHEMBL3988442 Histidine--tRNA ligase 2
- 10.6019/CHEMBL3988442 Tyrosyl-tRNA synthetase, putative 2
- 10.6019/CHEMBL3988442 Plasmodium falciparum 1
- 10.6019/CHEMBL3507680 Unchecked 1
- 10.6019/CHEMBL3988442 ClpP1P2 1
- 10.6019/CHEMBL3988442 Aspartate--tRNA(Asp/Asn) ligase 1
- 10.6019/CHEMBL3988442 Protein translocase subunit SecA 1
- 10.6019/CHEMBL3988442 Shiga toxin 2 1
- 10.6019/CHEMBL3988442 AMP-activated protein kinase, AMPK 1
- 10.6019/CHEMBL3988442 Proteasome subunit beta 1
- 10.6019/CHEMBL3988442 Lysine--tRNA ligase 1
- 10.6019/CHEMBL3988442 Polyketide synthase Pks13 1
- 10.6019/CHEMBL3988442 Sialic acid-binding Ig-like lectin 9 1
- 10.6019/CHEMBL3988442 Tryptophan--tRNA ligase 1
- 10.6019/CHEMBL3988442 Chromo domain-containing protein 1 1
- 10.6019/CHEMBL3988442 Arginase-2, mitochondrial 1
- 10.6019/CHEMBL3988442 Leishmania donovani 1

Data from ChEMBL 36 via Core Engine