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Compound Detail

CHEMBL508120

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O=C(Nc1ccncn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1

Basic Information

ChEMBL ID CHEMBL508120
Phase Preclinical
Structure Type MOL
InChI Key GELGBGXOTGHLQA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
2.35
ALogP
7
HBA
1
HBD
87.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N7OS
MW 367.44
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.21

Activity Summary

IC50 2 meas. best 8.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 8.2 8.2 6.3 1
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 7.99 7.99 10.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18693015 10.1016/j.bmcl.2008.07.081 Fatty-acid amide hydrolase 1 2

Data from ChEMBL 36 via Core Engine