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Compound Detail

CHEMBL508720

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CC1(C)Oc2ccc(C#N)cc2[C@@H](NP(C)(=O)c2ccccc2)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL508720
Phase Preclinical
Structure Type MOL
InChI Key KUKOBIYRPWXHMP-GHTAMBSGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
2.95
ALogP
4
HBA
2
HBD
82.3
PSA (Ų)
0.83
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 C19H21N2O3P
MW 356.36
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.24

Activity Summary

EC50 1 meas. best 4.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATP-binding cassette sub-family C member 9
CHEMBL1971
 EC50 4.73 4.73 18600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ATP-binding cassette sub-family C member 9 EC50 = 18600.0 nM 4.73 Channel opening activity at SUR2B/Kir6.2 potassium ATP channel in human TE671 ce... 19101153

Literature References

PubMed DOI Target Context # Activities
19101153 10.1016/j.bmc.2008.11.055 ATP-binding cassette sub-family C member 9 2

Data from ChEMBL 36 via Core Engine