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Compound Detail

CHEMBL1413835

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CN(C)CCCN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1nc2ccc(F)cc2s1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1413835
Phase Preclinical
Structure Type MOL
InChI Key MHGMFJCMTOCFFO-UHFFFAOYSA-N
Parent Compound CHEMBL1619918
Active Moiety CHEMBL1619918
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
3.28
ALogP
6
HBA
0
HBD
73.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26ClFN4O3S2
MW 501.05
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.56

Activity Summary

EC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 12.0 nM 7.92 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... -

Data from ChEMBL 36 via Core Engine