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Compound Detail

CHEMBL36990

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CCCCCCCC/C=C\CCCCCCCC(O)c1nc2ncccc2o1

Basic Information

ChEMBL ID CHEMBL36990
Phase Preclinical
Structure Type MOL
InChI Key PKMYSWQFDKBDFK-KTKRTIGZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.6
MW (Da)
7.29
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H38N2O2
MW 386.58
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.23

Activity Summary

Ki 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 5.75 5.75 1800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 Ki = 1800.0 nM 5.75 Inhibitory activity against fatty acid amide hydrolase (FAAH) 11412972

Literature References

PubMed DOI Target Context # Activities
11412972 10.1016/s0960-894x(01)00211-6 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine