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Compound Detail

CHEMBL6018331

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O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccco2)CC1)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6018331
Phase Preclinical
Structure Type MOL
InChI Key QIWRNMRARVBSHV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.4
MW (Da)
4.27
ALogP
5
HBA
1
HBD
61.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21F3N4O2
MW 430.43
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.23

Activity Summary

IC50 1 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SRSF protein kinase 1
CHEMBL4375
 IC50 8.85 8.85 1.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SRSF protein kinase 1 IC50 = 1.4 nM 8.85 Inhibition Assay: Screening of a series of molecules identified compounds (Compo... -

Data from ChEMBL 36 via Core Engine