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Compound Detail

CHEMBL3251363

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Nc1ncnc2c1nc(Sc1ccccc1)n2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3251363
Phase Preclinical
Structure Type MOL
InChI Key DCARDSHKJRCYNY-SDBHATRESA-N
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

615.4
MW (Da)
0.52
ALogP
15
HBA
7
HBD
279.1
PSA (Ų)
0.15
QED
3
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N5O13P3S
MW 615.35
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness 0.54

Activity Summary

Ki 5 meas.

Literature References

PubMed DOI Target Context # Activities
6284937 10.1021/jm00348a006 Unchecked 2
6284937 10.1021/jm00348a006 Adenylate kinase 2, mitochondrial 1
6284937 10.1021/jm00348a006 GTP:AMP phosphotransferase AK3, mitochondrial 1
231655 10.1021/jm00198a018 Adenylate kinase 2, mitochondrial 1
231655 10.1021/jm00198a018 GTP:AMP phosphotransferase AK3, mitochondrial 1

Data from ChEMBL 36 via Core Engine