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Compound Detail

CHEMBL5930435

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O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccco2)CC1)c1ccc(-c2ccncc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5930435
Phase Preclinical
Structure Type MOL
InChI Key YEZNTYUEXWTKKH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.5
MW (Da)
5.53
ALogP
6
HBA
1
HBD
74.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23F3N4O3
MW 496.49
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -2.02

Activity Summary

IC50 1 meas. best 9.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SRSF protein kinase 1
CHEMBL4375
 IC50 9.43 9.43 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SRSF protein kinase 1 IC50 = 0.37 nM 9.43 Inhibition Assay: Screening of a series of molecules identified compounds (Compo... -

Data from ChEMBL 36 via Core Engine