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Compound Detail

CHEMBL5831862

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O=C(c1nc2n(n1)[C@H](c1c(F)ccc(F)c1F)C[C@@H]2F)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5831862
Phase Preclinical
Structure Type MOL
InChI Key IMYZSYCTMHYNGA-UWVGGRQHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

325.3
MW (Da)
3.29
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11F4N3O
MW 325.27
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.04

Activity Summary

Ki 1 meas. best 8.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
 Ki 8.44 8.44 3.6 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 = 3.6 nM 8.44 Enzyme Assay: The ability of the receptor interacting protein kinase (RIPK1) to ... -

Data from ChEMBL 36 via Core Engine