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Compound Detail

CHEMBL4291242

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C/N=C(\NC)c1ccc(CN2CCN(Cc3ccc(/C(=N/C)NC)cc3)CC2)cc1.Cl.Cl.Cl.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4291242
Phase Preclinical
Structure Type MOL
InChI Key BBEZLJLXSDZAQN-UHFFFAOYSA-N
Parent Compound CHEMBL4301597
Active Moiety CHEMBL4301597
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

406.6
MW (Da)
2.20
ALogP
4
HBA
2
HBD
55.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H38Cl4N6
MW 552.42
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
30108719 10.1039/C7MD00445A A549 1
30108719 10.1039/C7MD00445A Unchecked 1
30108719 10.1039/C7MD00445A Pneumocystis carinii 1

Data from ChEMBL 36 via Core Engine