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Compound Detail

CHEMBL4070190

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COc1ccc(C(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4070190
Phase Preclinical
Structure Type MOL
InChI Key ZYBSAEGXTRCFIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

449.3
MW (Da)
5.40
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17BrN4O2
MW 449.31
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
28291344 10.1021/acs.jmedchem.6b01774 Unchecked 2
28291344 10.1021/acs.jmedchem.6b01774 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine