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Compound Detail

CHEMBL1898802

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CC1(Cc2ccc(Cl)c(Cl)c2)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1898802
Phase Preclinical
Structure Type MOL
InChI Key ALDVKAXQFVDGPL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.4
MW (Da)
5.06
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.65
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24Cl2N2O3S
MW 467.42
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 5.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.09 5.09 8030.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 8030.0 nM 5.09 PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... -

Data from ChEMBL 36 via Core Engine