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Compound Detail

CHEMBL5847958

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Nc1ncnc2c1ncn2C1=C[C@@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5847958
Phase Preclinical
Structure Type MOL
InChI Key CXOXDCKVIMMEHC-NGESMGFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
-1.41
ALogP
8
HBA
4
HBD
130.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N5O3
MW 263.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.70

Activity Summary

IC50 1 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AdoHcyase_NAD domain-containing protein
CHEMBL4295548
 IC50 7.57 7.57 27.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
AdoHcyase_NAD domain-containing protein IC50 = 27.0 nM 7.57 S-Adenosylhomocysteine Hydrolase (SAHase) Inhibition: As a consequence of "D"-Is... -

Data from ChEMBL 36 via Core Engine