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Compound Detail

CHEMBL27639

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

Basic Information

ChEMBL ID CHEMBL27639
Phase Preclinical
Structure Type MOL
InChI Key SGFGDJOGEIILEY-UHFFFAOYSA-N
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
0.06
ALogP
5
HBA
1
HBD
83.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N2O4S2
MW 304.39
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.42

Activity Summary

Ki 5 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
9406590 10.1021/jm960235e Phenylethanolamine N-methyltransferase 1
9406590 10.1021/jm960235e Adrenergic receptor alpha-2 1
9406590 10.1021/jm960235e Unchecked 1

Data from ChEMBL 36 via Core Engine