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Compound Detail

CHEMBL5917789

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O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cnco2)CC1)c1ccc(-c2ccncc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5917789
Phase Preclinical
Structure Type MOL
InChI Key KEVBMGQFAZBCGV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

497.5
MW (Da)
4.92
ALogP
7
HBA
1
HBD
87.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22F3N5O3
MW 497.48
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 9.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SRSF protein kinase 1
CHEMBL4375
 IC50 9.12 9.12 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SRSF protein kinase 1 IC50 = 0.76 nM 9.12 Inhibition Assay: Screening of a series of molecules identified compounds (Compo... -

Data from ChEMBL 36 via Core Engine