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Compound Detail

CHEMBL5996748

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CCC1(C(=O)c2nc3n(n2)[C@H](c2ccccc2)C[C@@H]3F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5996748
Phase Preclinical
Structure Type MOL
InChI Key HVWOZVAHMAARKY-STQMWFEESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
3.65
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18FN3O
MW 299.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.56

Activity Summary

Ki 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
 Ki 8.4 8.4 4.0 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 = 4.0 nM 8.4 Enzyme Assay: The ability of the receptor interacting protein kinase (RIPK1) to ... -

Data from ChEMBL 36 via Core Engine