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Compound Detail

CHEMBL5560752

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C[n+]1c(/C=C/c2ccc(N3CCCCC3)cc2)ccc2ccccc21.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5560752
Phase Preclinical
Structure Type MOL
InChI Key SFEWFQUEPVGEED-UHFFFAOYSA-M
Parent Compound CHEMBL6070596
Active Moiety CHEMBL6070596
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

329.5
MW (Da)
4.83
ALogP
1
HBA
0
HBD
7.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25IN2
MW 456.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
38624086 10.1021/acs.jmedchem.3c02240 quadruplex DNA 7
38624086 10.1021/acs.jmedchem.3c02240 ADMET 2
38624086 10.1021/acs.jmedchem.3c02240 HCT-116 1
38624086 10.1021/acs.jmedchem.3c02240 HFF-1 1
38624086 10.1021/acs.jmedchem.3c02240 BJ 1

Data from ChEMBL 36 via Core Engine