Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1256860

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Nc1ccnc2c(CN3C[C@H](O)[C@H](O)[C@H]3CO)cccc12

Basic Information

ChEMBL ID CHEMBL1256860
Phase Preclinical
Structure Type MOL
InChI Key NBAUGVPASFQHIQ-VNHYZAJKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
-0.28
ALogP
6
HBA
4
HBD
102.8
PSA (Ų)
0.62
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 C15H19N3O3
MW 289.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.35

Activity Summary

Ki 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 50.0 nM 7.3 Inhibition of Trypanosoma vivax Inosine-adenosine-guanosine-nucleoside hydrolase 20194690

Literature References

PubMed DOI Target Context # Activities
20194690 10.1128/aac.01787-09 Unchecked 2
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