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Compound Detail

CHEMBL6009304

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O=C(NCc1ccc(Cl)cc1N1CCCCC1)Nc1cccc2[nH]c(=O)[nH]c12

Basic Information

ChEMBL ID CHEMBL6009304
Phase Preclinical
Structure Type MOL
InChI Key UDSQXLZVIWKXME-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.9
MW (Da)
3.82
ALogP
3
HBA
4
HBD
93.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22ClN5O2
MW 399.88
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.65

Activity Summary

IC50 1 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL5102
IC50 8.74 8.74 1.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine