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Compound Detail

CHEMBL5830872

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

Basic Information

ChEMBL ID CHEMBL5830872
Phase Preclinical
Structure Type MOL
InChI Key OHJBCXGVMKYZEV-UWVGGRQHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.2
MW (Da)
3.00
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11F4N3O2
MW 329.25
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.91

Activity Summary

Ki 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
 Ki 8.05 8.05 9.0 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 = 9.0 nM 8.05 Enzyme Assay: The ability of the receptor interacting protein kinase (RIPK1) to ... -

Data from ChEMBL 36 via Core Engine