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Compound Detail

CHEMBL1651377

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OC[C@H]1O[C@@H](n2cnc3c2N=CN=C[C@@H]3O)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1651377
Phase Preclinical
Structure Type MOL
InChI Key XGANFQBJMNBMCZ-DANLAGSESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
-1.73
ALogP
9
HBA
4
HBD
132.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14N4O5
MW 282.26
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.32

Activity Summary

Ki 1 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosine deaminase
CHEMBL1910
 Ki 11.0 11.0 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenosine deaminase Ki = 0.01 nM 11.0 Inhibition of adenosine deaminase 21138280

Literature References

PubMed DOI Target Context # Activities
21138280 10.1021/jm101286g Adenosine deaminase 1

Data from ChEMBL 36 via Core Engine