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Compound Detail

CHEMBL5885803

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OC(c1nc2n(n1)[C@H](c1ccccc1)C[C@@H]2F)C1(F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5885803
Phase Preclinical
Structure Type MOL
InChI Key HHIGAYKEXDCCRD-NDQFZYFBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

291.3
MW (Da)
2.82
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15F2N3O
MW 291.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.52

Activity Summary

Ki 1 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
 Ki 9.52 9.52 0.3 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 = 0.3 nM 9.52 Enzyme Assay: The ability of the receptor interacting protein kinase (RIPK1) to ... -

Data from ChEMBL 36 via Core Engine