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Compound Detail

CHEMBL3344530

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O/N=C1\c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3344530
Phase Preclinical
Structure Type MOL
InChI Key XSBVLDHSNNTXLU-PTGBLXJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.8
MW (Da)
4.28
ALogP
5
HBA
1
HBD
63.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H11ClN4O
MW 346.78
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
25311562 10.1016/j.bmc.2014.09.040 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine