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Compound Detail

CHEMBL342629

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NC1CC2C[C@@H]1c1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL342629
Phase Preclinical
Structure Type MOL
InChI Key NVPNUMDAUYTNLJ-DCKZXCDOSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
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 1 meas.

Literature References

PubMed DOI Target Context # Activities
3339613 10.1021/jm00397a029 Phenylethanolamine N-methyltransferase 1

Data from ChEMBL 36 via Core Engine