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Compound Detail

CHEMBL1351537

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Cl.O=C(CNC1CCN(Cc2ccccc2)CC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1351537
Phase Preclinical
Structure Type MOL
InChI Key JYARCMNFSVDMFQ-UHFFFAOYSA-N
Parent Compound CHEMBL1617556
Active Moiety CHEMBL1617556
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
3.05
ALogP
5
HBA
2
HBD
81.8
PSA (Ų)
0.62
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 C25H35ClN4O3S
MW 507.10
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.84

Activity Summary

EC50 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 19.0 nM 7.72 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... -

Data from ChEMBL 36 via Core Engine