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Compound Detail

CHEMBL3469943

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CCOC(CC)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1

Basic Information

ChEMBL ID CHEMBL3469943
Phase Preclinical
Structure Type MOL
InChI Key ZZWBCQPXUWIBGV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
0.45
ALogP
6
HBA
1
HBD
87.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H27N5O3
MW 349.44
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.67

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 6
32078764 10.1021/acsinfecdis.9b00482 Plasmodium berghei 2
32078764 10.1021/acsinfecdis.9b00482 Plasmodium falciparum 2
- 10.6019/CHEMBL3988442 Tyrosyl-tRNA synthetase, putative 2
- 10.6019/CHEMBL3988442 Histidine--tRNA ligase 2
- 10.6019/CHEMBL3988442 Mycobacterium tuberculosis 2
- 10.6019/CHEMBL3988442 Tryptophan--tRNA ligase 1
- 10.6019/CHEMBL3988442 Polyketide synthase Pks13 1
- 10.6019/CHEMBL3988442 Plasmodium falciparum 1
- 10.6019/CHEMBL3988442 Chromo domain-containing protein 1 1
- 10.6019/CHEMBL3988442 Trypanosoma brucei 1
- 10.6019/CHEMBL3988442 Sialic acid-binding Ig-like lectin 9 1
- 10.6019/CHEMBL3988442 Shiga toxin 2 1
- 10.6019/CHEMBL3988442 Coenzyme A biosynthesis bifunctional protein CoaBC 1
- 10.6019/CHEMBL3988442 Proteasome subunit beta 1
- 10.6019/CHEMBL3507680 Unchecked 1
- 10.6019/CHEMBL3988442 Leishmania donovani 1
- 10.6019/CHEMBL3988442 Aspartate--tRNA(Asp/Asn) ligase 1
- 10.6019/CHEMBL3988442 Protein translocase subunit SecA 1
32078764 10.1021/acsinfecdis.9b00482 HepG2 1

Data from ChEMBL 36 via Core Engine