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Compound Detail

CHEMBL3133759

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O=C1NC(c2c[nH]c3ccccc23)Nc2ccccc21

Basic Information

ChEMBL ID CHEMBL3133759
Phase Preclinical
Structure Type MOL
InChI Key PWJNHCZVIHAJFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
3.02
ALogP
2
HBA
3
HBD
56.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13N3O
MW 263.30
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00097D Plasmodium falciparum 2
- 10.1039/C3MD00097D Leishmania donovani 1
26048785 10.1016/j.bmcl.2015.05.034 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
26048785 10.1016/j.bmcl.2015.05.034 SH-SY5Y 1
38784470 10.1039/d3md00600j HT-29 1
38784470 10.1039/d3md00600j U-87 MG 1
38784470 10.1039/d3md00600j MCF7 1
38784470 10.1039/d3md00600j A2780 1
38784470 10.1039/d3md00600j NCI-H460 1
38784470 10.1039/d3md00600j A-431 1
38784470 10.1039/d3md00600j DU-145 1
38784470 10.1039/d3md00600j BE(2)-C 1
38784470 10.1039/d3md00600j Unchecked 1
38784470 10.1039/d3md00600j MIA PaCa-2 1
38784470 10.1039/d3md00600j MCF-10A 1

Data from ChEMBL 36 via Core Engine