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Compound Detail

CHEMBL453038

NORARMEPAVINE
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COc1cc2c(cc1OC)[C@H](Cc1ccc(O)cc1)NCC2

Basic Information

ChEMBL ID CHEMBL453038
Name NORARMEPAVINE
Phase Preclinical
Structure Type MOL
InChI Key NKBBUUNAVOMVER-INIZCTEOSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
2.84
ALogP
4
HBA
2
HBD
50.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO3
MW 299.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.05

Activity Summary

IC50 2 meas. best 4.43
EC50 1 meas. best 4.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 4.63 4.63 23380.0 1
Sodium-dependent dopamine transporter
CHEMBL338
IC50 4.43 4.43 37000.0 1
Unchecked
CHEMBL612545
IC50 4.06 4.06 87029.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8778245 10.1021/np960354x Platelet 4
8778245 10.1021/np960354x Aorta 3
8676127 10.1021/np50124a001 Unchecked 2
8676127 10.1021/np50124a001 Sodium-dependent dopamine transporter 1

Data from ChEMBL 36 via Core Engine