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Compound Detail

CHEMBL5993497

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C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1nnc(Cc2ccccc2)o1

Basic Information

ChEMBL ID CHEMBL5993497
Phase Preclinical
Structure Type MOL
InChI Key JLXLCSYTLOVUKN-WBMJQRKESA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
1.60
ALogP
7
HBA
1
HBD
110.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N5O4
MW 393.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.80

Activity Summary

IC50 4 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 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine