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Compound Detail

CHEMBL6005455

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O=C(NCc1ccc(Cl)cc1)Nc1cccc2[nH]c(=O)[nH]c12

Basic Information

ChEMBL ID CHEMBL6005455
Phase Preclinical
Structure Type MOL
InChI Key KNSXMVRVSHUCBK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

316.8
MW (Da)
2.83
ALogP
2
HBA
4
HBD
89.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13ClN4O2
MW 316.75
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.63

Activity Summary

IC50 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL5102
IC50 7.1 7.1 79.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine