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Compound Detail

CHEMBL5902335

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O=C(c1nc2n(n1)[C@H](c1ccccc1)C[C@@H]2F)C1CC12CCC2

Basic Information

ChEMBL ID CHEMBL5902335
Phase Preclinical
Structure Type MOL
InChI Key WECQKSNRWLFCOH-TTZKSVMKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
3.65
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18FN3O
MW 311.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.30

Activity Summary

Ki 1 meas. best 8.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
Ki 8.08 8.08 8.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine