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Compound Detail

CHEMBL606276

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CO/N=C/[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL606276
Phase Preclinical
Structure Type MOL
InChI Key KURUHDPGMDYQSF-ZSRKSBGQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
-1.34
ALogP
10
HBA
3
HBD
140.9
PSA (Ų)
0.47
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 C11H14N6O4
MW 294.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.63

Activity Summary

Ki 1 meas. best 7.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosylhomocysteinase
CHEMBL2664
 Ki 7.02 7.02 94.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenosylhomocysteinase Ki = 94.6 nM 7.02 concentration dependent inhibition of S-Adenosyl-homocysteine hydrolase was dete... 9171871

Literature References

PubMed DOI Target Context # Activities
9171871 10.1021/jm960828p Vero 7
9171871 10.1021/jm960828p Human alphaherpesvirus 1 3
9171871 10.1021/jm960828p MDCK 3
9171871 10.1021/jm960828p HeLa 3
9171871 10.1021/jm960828p Human betaherpesvirus 5 2
9171871 10.1021/jm960828p Adenosylhomocysteinase 2
9171871 10.1021/jm960828p L1210 1
9171871 10.1021/jm960828p FM3A 1
9171871 10.1021/jm960828p MOLT-4 1
9171871 10.1021/jm960828p CCRF-CEM 1
9171871 10.1021/jm960828p Human alphaherpesvirus 2 1
9171871 10.1021/jm960828p Vaccinia virus 1
9171871 10.1021/jm960828p E6SM 1
9171871 10.1021/jm960828p HEL 1
9171871 10.1021/jm960828p Respiratory syncytial virus 1
9171871 10.1021/jm960828p Unchecked 1

Data from ChEMBL 36 via Core Engine