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Compound Detail

CHEMBL3216561

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Cl.Cl.N=C(Nc1ccc(NC(=N)c2ncccn2)cc1)c1ncccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3216561
Phase Preclinical
Structure Type MOL
InChI Key WAFWBRNPPNDUPQ-UHFFFAOYSA-N
Parent Compound CHEMBL2079371
Active Moiety CHEMBL2079371
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
2.14
ALogP
6
HBA
4
HBD
123.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16Cl2N8
MW 391.27
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
22840696 10.1016/j.ejmech.2012.06.058 Nucleic Acid 1
22840696 10.1016/j.ejmech.2012.06.058 L6 1
22840696 10.1016/j.ejmech.2012.06.058 Leishmania donovani 1
22840696 10.1016/j.ejmech.2012.06.058 Leishmania amazonensis 1

Data from ChEMBL 36 via Core Engine