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Compound Detail

CHEMBL603556

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

Basic Information

ChEMBL ID CHEMBL603556
Phase Preclinical
Structure Type MOL
InChI Key DYBVOLZBAYFUSE-OWBHPXMMSA-N
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

361.2
MW (Da)
-1.47
ALogP
10
HBA
5
HBD
186.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N5O7P
MW 361.25
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.02

Activity Summary

Ki 5 meas.

Literature References

PubMed DOI Target Context # Activities
6286970 10.1021/jm00349a008 Adenylate kinase 2, mitochondrial 3
6286970 10.1021/jm00349a008 GTP:AMP phosphotransferase AK3, mitochondrial 3
6286970 10.1021/jm00349a008 Adenylate kinase isoenzyme 1 2
6292418 10.1021/jm00352a016 Adenylate kinase 2, mitochondrial 1
6292418 10.1021/jm00352a016 Adenylate kinase isoenzyme 1 1

Data from ChEMBL 36 via Core Engine