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Compound Detail

CHEMBL290997

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CCCCCCCC/C=C\CCCCCCC/C(=N/OC)c1nc2ncccc2o1

Basic Information

ChEMBL ID CHEMBL290997
Phase Preclinical
Structure Type MOL
InChI Key OEKJNXNLPAEOIY-WHUSZIJCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.6
MW (Da)
7.61
ALogP
5
HBA
0
HBD
60.5
PSA (Ų)
0.12
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H39N3O2
MW 413.61
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.02

Activity Summary

Ki 1 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 5.35 5.35 4500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 Ki = 4500.0 nM 5.35 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