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Compound Detail

CHEMBL3183101

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CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1.Cl

Basic Information

ChEMBL ID CHEMBL3183101
Phase Preclinical
Structure Type MOL
InChI Key NOXNCSQBTYNMHD-RSAXXLAASA-N
Parent Compound CHEMBL1201353
Active Moiety CHEMBL1201353
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

274.8
MW (Da)
3.82
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20Cl2N2
MW 311.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 4.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.75 4.75 17749.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 17749.02 nM 4.75 PubChem BioAssay. insulin secretion from INS-1E cells in the presence of 5 mM gl... -

Data from ChEMBL 36 via Core Engine