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Compound Detail

CHEMBL1814129

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N=C(Nc1ccc(-c2ccc(-c3ccc(NC(=N)c4ccc(Br)cn4)cc3OC3CCCC3)o2)c(OC2CCCC2)c1)c1ccc(Br)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814129
Phase Preclinical
Structure Type MOL
InChI Key FLJOKMNSOFPCIC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

784.5
MW (Da)
10.45
ALogP
7
HBA
4
HBD
129.1
PSA (Ų)
0.08
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H36Br2N6O3
MW 784.55
Aromatic Rings 5
Heavy Atoms 49
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
21741248 10.1016/j.bmc.2011.06.026 Leishmania donovani 1
21741248 10.1016/j.bmc.2011.06.026 Leishmania amazonensis 1

Data from ChEMBL 36 via Core Engine