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Compound Detail

CHEMBL296392

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CC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL296392
Phase Preclinical
Structure Type MOL
InChI Key HXFJNVBAELYAOB-WDQPUEAGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
0.10
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.71
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 C12H17N5O2
MW 263.30
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.83

Activity Summary

Ki 1 meas. best 6.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosylhomocysteinase
CHEMBL2664
 Ki 6.23 6.23 586.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenosylhomocysteinase Ki = 586.0 nM 6.23 Inhibitory activity against bovine liver S-adenosyl-L-homocysteine hydrolase (Ad... 1588558

Literature References

PubMed DOI Target Context # Activities
1588558 10.1021/jm00088a013 Adenosylhomocysteinase 2
1588558 10.1021/jm00088a013 Unchecked 1

Data from ChEMBL 36 via Core Engine