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Compound Detail

CHEMBL2414252

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CC(C)(C)CC(C)(C)c1ccc(OCCOP(=O)([O-])OCC[N+](C)(C)Cc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2414252
Phase Preclinical
Structure Type MOL
InChI Key INGFADMORBTDEK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
5.56
ALogP
5
HBA
0
HBD
67.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H42NO5P
MW 491.61
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
23792315 10.1016/j.ejmech.2013.05.033 Unchecked 1
23792315 10.1016/j.ejmech.2013.05.033 Acanthamoeba lugdunensis 1
23792315 10.1016/j.ejmech.2013.05.033 Candida albicans 1
23792315 10.1016/j.ejmech.2013.05.033 HUVEC 1
23792315 10.1016/j.ejmech.2013.05.033 MDA-MB-231 1
23792315 10.1016/j.ejmech.2013.05.033 MCF7 1
23792315 10.1016/j.ejmech.2013.05.033 A549 1
23792315 10.1016/j.ejmech.2013.05.033 HeLa 1
23792315 10.1016/j.ejmech.2013.05.033 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine