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Compound Detail

CHEMBL4758561

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Cc1ccc([C@H](C)NC(=O)Cn2nc3ccc(F)cn3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4758561
Phase Preclinical
Structure Type MOL
InChI Key LOWCWGOBNLHCGG-LBPRGKRZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
1.82
ALogP
5
HBA
1
HBD
68.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17FN4O2
MW 328.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.36

Activity Summary

EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Probable G-protein coupled receptor 139
CHEMBL3632455
 EC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Probable G-protein coupled receptor 139 EC50 = 10.0 nM 8.0 Agonist activity at human GPR139 expressed in CHO-K1 cells assessed as induction... -

Data from ChEMBL 36 via Core Engine