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Compound Detail

CHEMBL3585520

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O=C(NCCCCCCn1ncc2ccccc21)Oc1ccccc1

Basic Information

ChEMBL ID CHEMBL3585520
Phase Preclinical
Structure Type MOL
InChI Key HWVYYGQZWFCVSL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
4.39
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N3O2
MW 337.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.39

Activity Summary

IC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 6.04 6.04 920.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 920.0 nM 6.04 Inhibition of Sprague-Dawley rat brain microsomal FAAH using N-(2-hydroxyethyl)-... -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C4MD00181H Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine