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Compound Detail

CHEMBL6029449

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O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cncs2)CC1)c1ccc(C2CCOCC2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6029449
Phase Preclinical
Structure Type MOL
InChI Key BGNSFXWJFBFXDD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

520.6
MW (Da)
5.22
ALogP
7
HBA
1
HBD
70.8
PSA (Ų)
0.48
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27F3N4O3S
MW 520.58
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.88

Activity Summary

IC50 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SRSF protein kinase 1
CHEMBL4375
 IC50 9.3 9.3 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SRSF protein kinase 1 IC50 = 0.5 nM 9.3 Inhibition Assay: Screening of a series of molecules identified compounds (Compo... -

Data from ChEMBL 36 via Core Engine