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Compound Detail

CHEMBL5796665

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O=C(c1nc2n(n1)[C@H](c1ccccc1)C[C@@H]2F)[C@H]1CC1(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5796665
Phase Preclinical
Structure Type MOL
InChI Key UADURGLSBYCPNX-VWYCJHECSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

307.3
MW (Da)
3.12
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12F3N3O
MW 307.27
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.61

Activity Summary

Ki 1 meas. best 8.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
 Ki 8.49 8.49 3.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-interacting serine/threonine-protein kinase 1 Ki = 3.2 nM 8.49 Enzyme Assay: The ability of the receptor interacting protein kinase (RIPK1) to ... -

Data from ChEMBL 36 via Core Engine