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Compound Detail

CHEMBL1668629

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Cl.N[C@H]1CCc2ccccc2C[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1668629
Phase Preclinical
Structure Type MOL
InChI Key FPTKEYJMLWYABO-ACMTZBLWSA-N
Parent Compound CHEMBL1739277
Active Moiety CHEMBL1739277
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

177.2
MW (Da)
0.86
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.58
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 C11H16ClNO
MW 213.71
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.73

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21292493 10.1016/j.bmc.2011.01.008 Aminopeptidase N 1
21292493 10.1016/j.bmc.2011.01.008 Cytosol aminopeptidase 1
21292493 10.1016/j.bmc.2011.01.008 Leukotriene A-4 hydrolase 1
21292493 10.1016/j.bmc.2011.01.008 Unchecked 1

Data from ChEMBL 36 via Core Engine