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Compound Detail

CHEMBL3910826

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CC1(C)CC=C(c2cc(C3(O)CCSCC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3910826
Phase Preclinical
Structure Type MOL
InChI Key MGPMHKNMXXADPK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.6
MW (Da)
4.84
ALogP
5
HBA
3
HBD
101.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N4O2S
MW 436.58
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.29

Activity Summary

IC50 1 meas. best 8.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL5570
 IC50 8.54 8.54 2.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 2.9 nM 8.54 Fluorescence Polarization Competition Immunoassay: An autophosphorylation, fluor... -

Data from ChEMBL 36 via Core Engine