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Compound Detail

CHEMBL4102598

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ClC1=C(Cl)C(Cl)=C(Cl)C1=NNC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4102598
Phase Preclinical
Structure Type MOL
InChI Key YBCAIRMUGUEHLO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.0
MW (Da)
4.66
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12Cl4N2
MW 314.04
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
28916338 10.1016/j.bmcl.2017.09.002 DEP domain-containing mTOR-interacting protein 3
28916338 10.1016/j.bmcl.2017.09.002 MM1.S 1
28916338 10.1016/j.bmcl.2017.09.002 RPMI-8226 1

Data from ChEMBL 36 via Core Engine