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Compound Detail

CHEMBL4094706

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S=C(NCc1ccccc1)Nc1ccc2ncnc(Nc3cccnc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4094706
Phase Preclinical
Structure Type MOL
InChI Key QMGWZQSPLHNVGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
4.26
ALogP
5
HBA
3
HBD
74.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N6S
MW 386.48
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.91

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