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Compound Detail

CHEMBL484723

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Cn1c2nc3ccccc3c-2c(Cl)c2ccc(Cl)cc21

Basic Information

ChEMBL ID CHEMBL484723
Phase Preclinical
Structure Type MOL
InChI Key YZKXWEYADZVCRI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

301.2
MW (Da)
5.14
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10Cl2N2
MW 301.18
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 4.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ADMET
CHEMBL612558
IC50 4.57 4.57 27000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ADMET IC50 = 27000.0 nM 4.57 Cytotoxicity against human MRC5 SV2 cells after 72 hrs by resazurin-based fluoro... 19364118

Literature References

PubMed DOI Target Context # Activities
19364118 10.1021/jm801490z Nucleic Acid 1
19364118 10.1021/jm801490z Histidine-rich protein PFHRP-II 1
19364118 10.1021/jm801490z Plasmodium falciparum 1
19364118 10.1021/jm801490z ADMET 1
19364118 10.1021/jm801490z Unchecked 1

Data from ChEMBL 36 via Core Engine