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Compound Detail

CHEMBL5934360

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CN1CCC(n2cc(-c3cn[nH]c3)c3cc(C#CC(C)(C)O)ncc32)CC1

Basic Information

ChEMBL ID CHEMBL5934360
Phase Preclinical
Structure Type MOL
InChI Key YVHOBRXMECGJEY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
2.82
ALogP
5
HBA
2
HBD
70.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N5O
MW 363.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.74

Activity Summary

IC50 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Inhibitor of nuclear factor kappa-B kinase subunit alpha
CHEMBL3476
IC50 7.19 7.19 65.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine