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Compound Detail

CHEMBL1898637

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Cl.Nc1c2c(nc3c1CCC3)CCCC2.O

Basic Information

ChEMBL ID CHEMBL1898637
Phase Preclinical
Structure Type MOL
InChI Key SBTIBNSPYUUNGA-UHFFFAOYSA-N
Parent Compound CHEMBL130880
Active Moiety CHEMBL130880
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

188.3
MW (Da)
2.03
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.68
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 C12H19ClN2O
MW 242.75
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 4.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.93 4.93 11701.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 11701.2 nM 4.93 PubChem BioAssay. insulin secretion from INS-1E cells in the presence of 5 mM gl... -

Data from ChEMBL 36 via Core Engine