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Compound Detail

CHEMBL5747497

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COCNc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C#N)c2)c(F)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5747497
Phase Preclinical
Structure Type MOL
InChI Key USXGJJRZNDNOLG-NRFANRHFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
3.92
ALogP
6
HBA
2
HBD
93.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27FN4O2
MW 386.47
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.62

Activity Summary

IC50 1 meas. best 9.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AP2-associated protein kinase 1
CHEMBL3830
 IC50 9.21 9.21 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
AP2-associated protein kinase 1 IC50 = 0.62 nM 9.21 Kinase Assay: The assays were performed in U-bottom 384-well plates. The final a... -

Data from ChEMBL 36 via Core Engine