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Compound Detail

CHEMBL15910

SOMAN
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CC(OP(C)(=O)F)C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL15910
Name SOMAN
Phase Preclinical
Structure Type MOL
InChI Key GRXKLBBBQUKJJZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

182.2
MW (Da)
3.23
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H16FO2P
MW 182.18
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.07

Activity Summary

Kd 2 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL4078
 Kd 6.4 6.305 400.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetylcholinesterase Kd = 400.0 nM 6.4 Binding affinity to Electric eel AChE 28404526
Acetylcholinesterase Kd = 610.0 nM 6.21 Binding affinity to electric eel AChE 18479118

Literature References

PubMed DOI Target Context # Activities
3965704 10.1021/jm00379a020 Rattus norvegicus 8
28404526 10.1016/j.bmc.2017.03.058 Acetylcholinesterase 2
18479118 10.1021/jm701253t Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine