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Compound Detail

CHEMBL278058

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NCC(O)C12CC3CC(CC(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL278058
Phase Preclinical
Structure Type MOL
InChI Key GLCFWAYXPRBRNU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

195.3
MW (Da)
1.52
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H21NO
MW 195.31
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.43

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11412985 10.1016/s0960-894x(01)00245-1 Phenylethanolamine N-methyltransferase 2
7205880 10.1021/jm00133a003 Phenylethanolamine N-methyltransferase 1
11412985 10.1016/s0960-894x(01)00245-1 Unchecked 1

Data from ChEMBL 36 via Core Engine