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Compound Detail

CHEMBL4099653

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Cc1cccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4099653
Phase Preclinical
Structure Type MOL
InChI Key RMMZAAQVCSGOHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

413.6
MW (Da)
5.48
ALogP
4
HBA
3
HBD
61.9
PSA (Ų)
0.38
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 C24H23N5S
MW 413.55
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.83

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
28291344 10.1021/acs.jmedchem.6b01774 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine