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Compound Detail

CHEMBL5932930

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Cn1cc(-c2cc(C(=O)/N=c3\[nH]c4ccccc4n3C3CCC3)ccn2)cn1

Basic Information

ChEMBL ID CHEMBL5932930
Phase Preclinical
Structure Type MOL
InChI Key HOMVQSKMBBTIKN-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
3.23
ALogP
5
HBA
1
HBD
80.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N6O
MW 372.43
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.87

Activity Summary

IC50 3 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 7.58 6.6433 26.3 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine