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Compound Detail

CHEMBL215714

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CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)c(F)c2)cc1

Basic Information

ChEMBL ID CHEMBL215714
Phase Preclinical
Structure Type MOL
InChI Key BSPLICRWQBKOHH-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
4.11
ALogP
4
HBA
4
HBD
90.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21FN4O2
MW 392.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.48

Activity Summary

IC50 3 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L6
CHEMBL614793
IC50 5.07 5.07 8500.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.5 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L6 IC50 = 8500.0 nM 5.07 Cytotoxicity against rat L6 cells 16913722

Literature References

PubMed DOI Target Context # Activities
16913722 10.1021/jm060470p Mus musculus 3
16913722 10.1021/jm060470p L6 1
16913722 10.1021/jm060470p Plasmodium falciparum 1
16913722 10.1021/jm060470p Trypanosoma brucei rhodesiense 1

Data from ChEMBL 36 via Core Engine