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Compound Detail

CHEMBL5944034

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C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1nn(Cc2ccccc2)cc1F

Basic Information

ChEMBL ID CHEMBL5944034
Phase Preclinical
Structure Type MOL
InChI Key WTMANUNHJXOZBJ-DYVFJYSZSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
2.01
ALogP
6
HBA
1
HBD
89.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20FN5O3
MW 409.42
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.03

Activity Summary

IC50 2 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
IC50 6.3 6.3 500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine