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Compound Detail

CHEMBL4748320

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CN(C)CCNCc1ccc(-c2cc3c(N[C@H](CO)c4ccccc4)ncnc3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4748320
Phase Preclinical
Structure Type MOL
InChI Key XQCMCFSURPMSTA-HSZRJFAPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
3.42
ALogP
6
HBA
4
HBD
89.1
PSA (Ų)
0.29
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N6O
MW 430.56
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.83

Activity Summary

IC50 1 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
 IC50 9.52 9.52 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor IC50 = 0.3 nM 9.52 Inhibition of human EGFR using poly[Glu:Tyr] (4:1) as substrate in presence of [... 27614407

Literature References

PubMed DOI Target Context # Activities
27614407 10.1016/j.ejmech.2016.08.068 Epidermal growth factor receptor 2

Data from ChEMBL 36 via Core Engine