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Compound Detail

CHEMBL1579600

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CN(C)CCCN(C(=O)c1ccco1)c1nc2c(F)cc(F)cc2s1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1579600
Phase Preclinical
Structure Type MOL
InChI Key WOZPFQXIYMBOPO-UHFFFAOYSA-N
Parent Compound CHEMBL1625965
Active Moiety CHEMBL1625965
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
3.77
ALogP
5
HBA
0
HBD
49.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18ClF2N3O2S
MW 401.87
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.63

Activity Summary

EC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 7.0 7.0 101.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 101.0 nM 7.0 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... -

Data from ChEMBL 36 via Core Engine