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Compound Detail

CHEMBL5937655

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O=C(N[C@H]1COc2cccnc2NC1=O)c1cc(C2(c3ccccc3)CC2)on1

Basic Information

ChEMBL ID CHEMBL5937655
Phase Preclinical
Structure Type MOL
InChI Key KIQKAZHKANIOKK-HNNXBMFYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
2.28
ALogP
6
HBA
2
HBD
106.3
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 C21H18N4O4
MW 390.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.40

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