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Compound Detail

CHEMBL1404361

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Cc1cc2c(cc1S(=O)(=O)N1CCN(c3cccc(C)c3C)CC1)OCCN2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1404361
Phase Preclinical
Structure Type MOL
InChI Key OUWAPYUQLOCVIU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.6
MW (Da)
2.95
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N3O3S
MW 415.56
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.77

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibrinogen beta chain
CHEMBL2048
 IC50 5.0 5.0 10117.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibrinogen beta chain IC50 = 10117.0 nM 5.0 PubChem BioAssay. Fluorescence polarization-based biochemical high throughput do... -

Data from ChEMBL 36 via Core Engine