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Compound Detail

CHEMBL216600

NEOAMPHIMIDINE
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Cn1ccc2c(c1=O)C(=O)c1nccc3c1c-2nc1ccccc13
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL216600
Name NEOAMPHIMIDINE
Phase Preclinical
Structure Type MOL
InChI Key HHTUKGISODJJKH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
2.69
ALogP
5
HBA
0
HBD
64.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H11N3O2
MW 313.32
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness 0.60

Activity Summary

IC50 2 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SW480
CHEMBL612544
 IC50 8.22 8.22 6.0 1
SW-620
CHEMBL612262
 IC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SW480 IC50 = 6.0 nM 8.22 Cytotoxicity against human SW480 cells assessed as cell growth measured after 24... 39270448
SW-620 IC50 = 60.0 nM 7.22 Cytotoxicity against human SW620 cells assessed as cell growth measured after 24... 39270448

Literature References

PubMed DOI Target Context # Activities
31675229 10.1021/acs.jmedchem.9b01065 DNA topoisomerase 2-alpha 5
17253856 10.1021/np060585w Unchecked 1
39270448 10.1016/j.ejmech.2024.116850 SW-620 1
39270448 10.1016/j.ejmech.2024.116850 SW480 1

Data from ChEMBL 36 via Core Engine