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Compound Detail

CHEMBL4061460

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Fc1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4061460
Phase Preclinical
Structure Type MOL
InChI Key NVVCEXLZBARVQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

441.9
MW (Da)
6.11
ALogP
4
HBA
3
HBD
61.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14ClF2N5S
MW 441.89
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.13

Literature References

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

Data from ChEMBL 36 via Core Engine