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Compound Detail

CHEMBL4782901

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COc1ccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4782901
Phase Preclinical
Structure Type MOL
InChI Key AIHDUYJMQIKKRQ-VIFPVBQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.8
MW (Da)
1.57
ALogP
7
HBA
1
HBD
90.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15ClFN5O3
MW 379.78
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.33

Activity Summary

EC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Probable G-protein coupled receptor 139
CHEMBL3632455
 EC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Probable G-protein coupled receptor 139 EC50 = 1.0 nM 9.0 Agonist activity at human GPR139 expressed in CHO-K1 cells assessed as induction... -

Data from ChEMBL 36 via Core Engine