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Compound Detail

CHEMBL299436

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NC1C2CC[C@H]1c1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL299436
Phase Preclinical
Structure Type MOL
InChI Key AIGGDKWINIMWNQ-WHXUTIOJSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
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 0.50

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
3681890 10.1021/jm00395a006 Phenylethanolamine N-methyltransferase 3
3681889 10.1021/jm00395a005 Phenylethanolamine N-methyltransferase 3
6644745 10.1021/jm00366a019 No relevant target 2
3681890 10.1021/jm00395a006 Unchecked 1

Data from ChEMBL 36 via Core Engine