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Compound Detail

CHEMBL5990506

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CN1Cc2ccccc2OCCNC(=O)c2cnn3ccc1nc23

Basic Information

ChEMBL ID CHEMBL5990506
Phase Preclinical
Structure Type MOL
InChI Key HQXVNKKSTUDRSP-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
1.49
ALogP
6
HBA
1
HBD
71.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N5O2
MW 323.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.95

Activity Summary

Kd 4 meas. best 9.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
Kd 9.85 9.85 0.1 2
Tyrosine-protein kinase JAK2
CHEMBL2971
Kd 7.62 7.62 24.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine