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Compound Detail

CHEMBL1162295

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O=P(O)(O)C(O)(CC1CCCNC1)P(=O)(O)O

Basic Information

ChEMBL ID CHEMBL1162295
Phase Preclinical
Structure Type MOL
InChI Key QEICZTZQRCHYHZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.2
MW (Da)
-0.62
ALogP
4
HBA
6
HBD
147.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H17NO7P2
MW 289.16
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.27

Activity Summary

IC50 1 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dictyostelium discoideum
CHEMBL612373
IC50 4.52 4.52 30000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dictyostelium discoideum IC50 = 30000.0 nM 4.52 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