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

CHEMBL2337486

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
CCCCP(=O)(O)C1=CC[C@H](NC(=O)CCCCCNc2ccc([N+](=O)[O-])c3nonc23)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2337486
Phase Preclinical
Structure Type MOL
InChI Key GDIVWRNNXLWAKH-HNNXBMFYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

479.5
MW (Da)
4.34
ALogP
8
HBA
3
HBD
160.5
PSA (Ų)
0.16
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30N5O6P
MW 479.47
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.89

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
24900684 10.1021/ml300476v Gamma-aminobutyric acid receptor subunit rho-1 2
24900684 10.1021/ml300476v GABA-A receptor; alpha-1/beta-2/gamma-2 1

Data from ChEMBL 36 via Core Engine