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Compound Detail

CHEMBL604395

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

Basic Information

ChEMBL ID CHEMBL604395
Phase Preclinical
Structure Type MOL
InChI Key DTPQBXDJPLZKNI-MWQLDZLRSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

549.3
MW (Da)
-0.46
ALogP
14
HBA
7
HBD
279.1
PSA (Ų)
0.18
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 C13H22N5O13P3
MW 549.26
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 1.10

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
6292418 10.1021/jm00352a016 Unchecked 3
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