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Compound Detail

CHEMBL5936538

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Nc1nnc(-c2ccccc2O)cc1OCCc1ccccc1

Basic Information

ChEMBL ID CHEMBL5936538
Phase Preclinical
Structure Type MOL
InChI Key URAFMSDXCRQVKY-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
3.05
ALogP
5
HBA
2
HBD
81.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O2
MW 307.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.20

Activity Summary

IC50 3 meas. best 8.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 8.06 7.87 8.8 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine