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Compound Detail

CHEMBL341882

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O=C(O)c1ccc2c(c1)CNCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL341882
Phase Preclinical
Structure Type MOL
InChI Key CQNSOIKACZHLHP-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

177.2
MW (Da)
1.03
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11NO2
MW 177.20
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.06

Activity Summary

Ki 4 meas.

Literature References

PubMed DOI Target Context # Activities
10091706 10.1016/s0960-894x(99)00022-0 Phenylethanolamine N-methyltransferase 1
10091706 10.1016/s0960-894x(99)00022-0 Adrenergic receptor alpha-2 1
9888838 10.1021/jm980429p Phenylethanolamine N-methyltransferase 1
9888838 10.1021/jm980429p Adrenergic receptor alpha-2 1
9888838 10.1021/jm980429p Unchecked 1

Data from ChEMBL 36 via Core Engine