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Compound Detail

CHEMBL4798996

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CN1CCN(c2ccc(Nc3nc(Oc4ccc5ccc(=O)[nH]c5c4)c4sccc4n3)nc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4798996
Phase Preclinical
Structure Type MOL
InChI Key HCQSCFIMXNZNRI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

485.6
MW (Da)
4.22
ALogP
9
HBA
2
HBD
99.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N7O2S
MW 485.57
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
32402937 10.1016/j.ejmech.2020.112388 Epidermal growth factor receptor 3
32402937 10.1016/j.ejmech.2020.112388 NCI-H1975 1
32402937 10.1016/j.ejmech.2020.112388 A549 1
32402937 10.1016/j.ejmech.2020.112388 PC-9 1
32402937 10.1016/j.ejmech.2020.112388 L02 1

Data from ChEMBL 36 via Core Engine