Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4289887

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(O)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4289887
Phase Preclinical
Structure Type MOL
InChI Key NKVJKVMGJABKHV-UHFFFAOYSA-N
Parent Compound CHEMBL4303036
Active Moiety CHEMBL4303036
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.85
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22BrO2P
MW 429.29
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.25

Literature References

PubMed DOI Target Context # Activities
38096652 10.1016/j.ejmech.2023.115973 Staphylococcus aureus 4
38096652 10.1016/j.ejmech.2023.115973 Acinetobacter baumannii 2
38096652 10.1016/j.ejmech.2023.115973 Pseudomonas aeruginosa 2
29890389 10.1016/j.ejmech.2018.06.012 MCF7 1
29890389 10.1016/j.ejmech.2018.06.012 A-375 1
29890389 10.1016/j.ejmech.2018.06.012 NCI-H1650 1
29890389 10.1016/j.ejmech.2018.06.012 BEAS-2B 1
29890389 10.1016/j.ejmech.2018.06.012 Unchecked 1
35818137 10.1021/acs.jmedchem.2c00640 A-375 1
35818137 10.1021/acs.jmedchem.2c00640 A549 1
35818137 10.1021/acs.jmedchem.2c00640 MCF7 1
35818137 10.1021/acs.jmedchem.2c00640 MDA-MB-231 1
38096652 10.1016/j.ejmech.2023.115973 L02 1

Data from ChEMBL 36 via Core Engine