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Compound Detail

CHEMBL4794102

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CCN1CCN(c2nc(Oc3ccc4ccc(=O)[nH]c4c3)c3sccc3n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4794102
Phase Preclinical
Structure Type MOL
InChI Key JURSEJSFFCDYSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
3.47
ALogP
7
HBA
1
HBD
74.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N5O2S
MW 407.50
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.66

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