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Compound Detail

CHEMBL3350992

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CC[n+]1cccc(CC(P(=O)([O-])O)P(=O)(O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3350992
Phase Preclinical
Structure Type MOL
InChI Key NVJICGBSTIVXGC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

295.2
MW (Da)
-0.41
ALogP
3
HBA
3
HBD
121.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15NO6P2
MW 295.17
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.17

Activity Summary

IC50 1 meas. best 4.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dictyostelium discoideum
CHEMBL612373
 IC50 4.57 4.57 27000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dictyostelium discoideum IC50 = 27000.0 nM 4.57 Antimicrobial activity against Dictyostelium discoideum 18590315

Literature References

PubMed DOI Target Context # Activities
18590315 10.1021/jm7015792 Farnesyl pyrophosphate synthase 1
18590315 10.1021/jm7015792 Dictyostelium discoideum 1

Data from ChEMBL 36 via Core Engine