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Compound Detail

CHEMBL4097032

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Clc1nnc(NN=Cc2ccc(Br)cc2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4097032
Phase Preclinical
Structure Type MOL
InChI Key PLNDXGSPZLVMHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.6
MW (Da)
4.49
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10BrClN4
MW 361.63
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
28119201 10.1016/j.ejmech.2017.01.022 Leishmania braziliensis 2

Data from ChEMBL 36 via Core Engine