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Compound Detail

CHEMBL4540965

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CC1(C(=O)N2CCN(c3cncc4ccccc34)CC2)COC1

Basic Information

ChEMBL ID CHEMBL4540965
Phase Preclinical
Structure Type MOL
InChI Key NGINARILNKHCJD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
1.92
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3O2
MW 311.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.90

Activity Summary

EC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.85 5.85 1420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 1420.0 nM 5.85 Inhibition of mouse derived homozygous Tg0N4R P301S mutant tau-induced human ON4... 32071678

Literature References

PubMed DOI Target Context # Activities
32071678 10.1021/acsmedchemlett.9b00480 Unchecked 1
32071678 10.1021/acsmedchemlett.9b00480 ADMET 1

Data from ChEMBL 36 via Core Engine