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Compound Detail

CHEMBL236767

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CO/N=c1/[nH]c(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL236767
Phase Preclinical
Structure Type MOL
InChI Key OQGMXBRSTMPDTL-KQYNXXCUSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
-2.58
ALogP
10
HBA
5
HBD
164.0
PSA (Ų)
0.39
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 C11H16N6O5
MW 312.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.17

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
17548196 10.1016/j.bmc.2007.05.038 Plasmodium falciparum 3
17548196 10.1016/j.bmc.2007.05.038 Unchecked 3
17548196 10.1016/j.bmc.2007.05.038 KB 1
18180344 10.1128/aac.01056-07 ADMET 1
18180344 10.1128/aac.01056-07 Enterovirus C 1
18180344 10.1128/aac.01056-07 Coxsackievirus 1
21349610 10.1016/j.ejmech.2011.01.055 K562 1
21349610 10.1016/j.ejmech.2011.01.055 HeLa 1
21349610 10.1016/j.ejmech.2011.01.055 Caco-2 1
21349610 10.1016/j.ejmech.2011.01.055 HT-29 1
21349610 10.1016/j.ejmech.2011.01.055 MCF7 1

Data from ChEMBL 36 via Core Engine