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

CHEMBL39492

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
NC1CC2CC1c1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL39492
Phase Preclinical
Structure Type MOL
InChI Key NVPNUMDAUYTNLJ-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

159.2
MW (Da)
1.99
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N
MW 159.23
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.52

Activity Summary

Ki 3 meas.

Literature References

PubMed DOI Target Context # Activities
11412985 10.1016/s0960-894x(01)00245-1 Phenylethanolamine N-methyltransferase 2
2913308 10.1021/jm00122a032 Phenylethanolamine N-methyltransferase 1
11412985 10.1016/s0960-894x(01)00245-1 Unchecked 1

Data from ChEMBL 36 via Core Engine