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Compound Detail

CHEMBL5835514

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O=C(c1nc2n(n1)[C@H](c1ncccc1Cl)C[C@@H]2F)C1CC1

Basic Information

ChEMBL ID CHEMBL5835514
Phase Preclinical
Structure Type MOL
InChI Key VYIMVCIQBXKCHO-UWVGGRQHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

306.7
MW (Da)
2.92
ALogP
5
HBA
0
HBD
60.7
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 C14H12ClFN4O
MW 306.73
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.11

Activity Summary

Ki 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
Ki 8.0 7.75 10.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine