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Compound Detail

CHEMBL5744873

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CNc1cc(Nc2cccnc2OC(CO)CO)nc2c(C(=O)NC3CC3)cnn12

Basic Information

ChEMBL ID CHEMBL5744873
Phase Preclinical
Structure Type MOL
InChI Key IWCFWUALWIXFSZ-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
0.53
ALogP
10
HBA
5
HBD
145.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N7O4
MW 413.44
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.20

Activity Summary

Kd 3 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
Kd 9.22 9.22 0.6 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine