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Compound Detail

CHEMBL1213059

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C(=N/Nc1ccccc1)\c1ccc(N2CCN(c3ccc(/C=N/Nc4ccccc4)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1213059
Phase Preclinical
Structure Type MOL
InChI Key STHOLVQORPIXKI-QBRCKEFASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

474.6
MW (Da)
5.91
ALogP
6
HBA
2
HBD
55.3
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30N6
MW 474.61
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.91

Activity Summary

IC50 1 meas. best 4.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.47 4.47 34000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 34000.0 nM 4.47 Antimicrobial activity against Leishmania 20185316

Literature References

PubMed DOI Target Context # Activities
20185316 10.1016/j.bmc.2010.01.068 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine