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Compound Detail

CHEMBL3923669

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O=C(O)c1n[nH]c2cc(Cl)c(-c3ccc(-c4ccccc4O)cc3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3923669
Phase Preclinical
Structure Type MOL
InChI Key JSVQKFOYAFPSSM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

364.8
MW (Da)
4.95
ALogP
3
HBA
3
HBD
86.2
PSA (Ų)
0.48
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 C20H13ClN2O3
MW 364.79
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.47

Activity Summary

EC50 1 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AMP-activated protein kinase, AMPK
CHEMBL2096907
 EC50 8.74 8.74 1.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
AMP-activated protein kinase, AMPK EC50 = 1.8 nM 8.74 33P-Based Assay: The biochemical EC50 (half-maximal concentration required for f... -

Data from ChEMBL 36 via Core Engine