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Compound Detail

CHEMBL3585521

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O=C(NCCCCCCn1nnc2ccccc21)Oc1ccccc1

Basic Information

ChEMBL ID CHEMBL3585521
Phase Preclinical
Structure Type MOL
InChI Key SKEPRJMFJSLILD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
3.78
ALogP
5
HBA
1
HBD
69.0
PSA (Ų)
0.63
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 C19H22N4O2
MW 338.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 6.09 6.09 810.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 810.0 nM 6.09 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