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Compound Detail

CHEMBL5981064

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N=Cc1c(-c2ccnc(C3(CN)Cc4ccccc4C3)c2)ccnc1N

Basic Information

ChEMBL ID CHEMBL5981064
Phase Preclinical
Structure Type MOL
InChI Key SBKJWBDTEVNTIM-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
2.72
ALogP
5
HBA
3
HBD
101.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N5
MW 343.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.07

Activity Summary

IC50 3 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 5.7 5.7 2000.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine