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Compound Detail

CHEMBL1744387

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CC(=O)NCCCCCCNc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)([O-])O)[C@@H](O)[C@H]1O.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1744387
Phase Preclinical
Structure Type MOL
InChI Key YTQANJMXVLECOJ-PWCQVSSSSA-M
Parent Compound CHEMBL608954
Active Moiety CHEMBL608954
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

648.4
MW (Da)
-0.10
ALogP
15
HBA
8
HBD
294.2
PSA (Ų)
0.09
QED
3
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H30N6NaO14P3
MW 670.38
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness 0.73

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
6284937 10.1021/jm00348a006 GTP:AMP phosphotransferase AK3, mitochondrial 1
6284937 10.1021/jm00348a006 Unchecked 1

Data from ChEMBL 36 via Core Engine