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Compound Detail

CHEMBL4295173

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Cl.Cl.Cl.Cl.N=C(N)c1ccc(NCCOCCNc2ccc(C(=N)N)cc2N)c(N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4295173
Phase Preclinical
Structure Type MOL
InChI Key BEDCOQBWKOGXPG-UHFFFAOYSA-N
Parent Compound CHEMBL4302405
Active Moiety CHEMBL4302405
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
0.96
ALogP
7
HBA
8
HBD
185.1
PSA (Ų)
0.13
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H30Cl4N8O
MW 516.31
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
30108719 10.1039/C7MD00445A Pneumocystis carinii 2
30108719 10.1039/C7MD00445A A549 1
30108719 10.1039/C7MD00445A Unchecked 1
30108719 10.1039/C7MD00445A Luciferin 4-monooxygenase 1

Data from ChEMBL 36 via Core Engine