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Compound Detail

CHEMBL5854857

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O=C(c1nc2n(n1)C(c1ccccc1)CC2F)C1(C(F)(F)F)CC1

Basic Information

ChEMBL ID CHEMBL5854857
Phase Preclinical
Structure Type MOL
InChI Key OKONMRYYGBVFRN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.3
MW (Da)
3.81
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13F4N3O
MW 339.29
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.67

Activity Summary

Ki 1 meas. best 7.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
Ki 7.95 7.95 11.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine