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Compound Detail

CHEMBL5821790

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O=C(c1nc2n(n1)[C@H](c1ccccc1)C[C@@H]2F)C1(CO)CC1

Basic Information

ChEMBL ID CHEMBL5821790
Phase Preclinical
Structure Type MOL
InChI Key RJMNJOUSAXSSBN-RYUDHWBXSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

301.3
MW (Da)
2.24
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16FN3O2
MW 301.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.36

Activity Summary

Ki 2 meas. best 8.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
Ki 8.31 7.925 4.9 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine