Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL6021679

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1n[nH]c2cccc(OC[C@@H](O)CNC(C)(C)C)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6021679
Phase Preclinical
Structure Type MOL
InChI Key OSPVWTPFPZMLOX-NSHDSACASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
2.00
ALogP
4
HBA
3
HBD
70.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H23N3O2
MW 277.37
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 10.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G protein-coupled receptor kinase 3
CHEMBL1075166
 IC50 10.19 10.19 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G protein-coupled receptor kinase 3 IC50 = 0.065 nM 10.19 Binding Assay: ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite ... -

Data from ChEMBL 36 via Core Engine