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Compound Detail

CHEMBL3651300

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N#Cc1c[nH]c(C(=O)Nc2cc(CO)c(C3CNS(=O)(=O)NC3)cc2C2=CCCCC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3651300
Phase Preclinical
Structure Type MOL
InChI Key ZRWFZYJQPSPUJF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.5
MW (Da)
1.50
ALogP
6
HBA
5
HBD
160.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N6O4S
MW 456.53
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.14

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1
CHEMBL3638330
 IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 IC50 = 10.0 nM 8.0 Fluorescence Polarization Competition Immunoassay: A fluorescence polarization c... -

Data from ChEMBL 36 via Core Engine