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Compound Detail

CHEMBL4092413

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CC(C)(C)NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4092413
Phase Preclinical
Structure Type MOL
InChI Key SPAYNHKSYSEQSJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

288.0
MW (Da)
4.12
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10Cl4N2
MW 288.01
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness -0.47

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