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Compound Detail

CHEMBL1736587

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CC(=O)OCC[N+](C)(C)C.[O-][Cl+3]([O-])([O-])[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1736587
Phase Preclinical
Structure Type MOL
InChI Key SHIQLFRCVFUYEK-UHFFFAOYSA-M
Parent Compound CHEMBL667
Active Moiety CHEMBL667
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

146.2
MW (Da)
0.26
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H16ClNO6
MW 245.66
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 1.19

Activity Summary

IC50 1 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 3
CHEMBL2731
 IC50 6.21 6.21 617.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Galanin receptor type 3 IC50 = 617.81 nM 6.21 PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... -

Data from ChEMBL 36 via Core Engine