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Compound Detail

CHEMBL291079

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O=[PH](O)C1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL291079
Phase Preclinical
Structure Type MOL
InChI Key RTGPTPVOFAYMLH-UHFFFAOYSA-N
0
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

149.1
MW (Da)
0.21
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H12NO2P
MW 149.13
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 0.32

Activity Summary

EC50 6 meas.

Literature References

PubMed DOI Target Context # Activities
11412984 10.1016/s0960-894x(01)00184-6 GABA-A receptor; alpha-1/beta-3/gamma-2 2
11412984 10.1016/s0960-894x(01)00184-6 GABA-A receptor; alpha-2/beta-3/gamma-2 2
11412984 10.1016/s0960-894x(01)00184-6 GABA-A receptor; alpha-3/beta-3/gamma-2 2
11412984 10.1016/s0960-894x(01)00184-6 GABA A receptor alpha-4/beta-3/gamma-2 2
11412984 10.1016/s0960-894x(01)00184-6 GABA-A receptor; alpha-5/beta-3/gamma-2 2
11412984 10.1016/s0960-894x(01)00184-6 GABA-A receptor; alpha-6/beta-3/gamma-2 2

Data from ChEMBL 36 via Core Engine