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Compound Detail

CHEMBL2441564

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CN(C)C/C=C/C(=O)N1CCOc2cc3ncnc(Nc4cccc(Br)c4)c3cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2441564
Phase Preclinical
Structure Type MOL
InChI Key OJWFMGYMTZYWCP-QPJJXVBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.4
MW (Da)
3.98
ALogP
6
HBA
1
HBD
70.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22BrN5O2
MW 468.36
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
24900594 10.1021/ml4002437 Epidermal growth factor receptor 2

Data from ChEMBL 36 via Core Engine