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Compound Detail

CHEMBL282700

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C[C@H](N)c1ccccc1

Basic Information

ChEMBL ID CHEMBL282700
Phase Preclinical
Structure Type MOL
InChI Key RQEUFEKYXDPUSK-ZETCQYMHSA-N
0
Targets
9
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

121.2
MW (Da)
1.71
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H11N
MW 121.18
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -0.45

Activity Summary

Ki 9 meas.

Literature References

PubMed DOI Target Context # Activities
11412985 10.1016/s0960-894x(01)00245-1 Phenylethanolamine N-methyltransferase 2
19345586 10.1016/j.bmc.2009.03.025 Glutamate NMDA receptor 2
7143366 10.1021/jm00352a031 Phenylethanolamine N-methyltransferase 1
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
11412985 10.1016/s0960-894x(01)00245-1 Unchecked 1
3397993 10.1021/jm00403a012 Amine oxidase [flavin-containing] B 1
3397993 10.1021/jm00403a012 Bos taurus 1
7143356 10.1021/jm00352a020 Phenylethanolamine N-methyltransferase 1

Data from ChEMBL 36 via Core Engine