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Compound Detail

CHEMBL505234

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N=C(N)Nc1ccc(CN2C[C@H](O)[C@H](O)[C@H]2CO)cc1

Basic Information

ChEMBL ID CHEMBL505234
Phase Preclinical
Structure Type MOL
InChI Key ZQFHFKSXRFPQQC-GRYCIOLGSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
-1.11
ALogP
5
HBA
6
HBD
125.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H20N4O3
MW 280.33
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.38

Activity Summary

Ki 2 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 5.16 5.16 7000.0 1
IAG-nucleoside hydrolase
CHEMBL6134
Ki 5.16 5.16 7000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17582660 10.1016/j.ejmech.2007.03.027 IAG-nucleoside hydrolase 1
20194690 10.1128/aac.01787-09 Unchecked 1
20194690 10.1128/aac.01787-09 Trypanosoma brucei brucei 1
20194690 10.1128/aac.01787-09 Trypanosoma cruzi 1
20194690 10.1128/aac.01787-09 Leishmania infantum 1
20194690 10.1128/aac.01787-09 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine