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Compound Detail

CHEMBL166498

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CCC12CCC(=O)C=C1c1c(cc(OCc3nn[nH]n3)c(Cl)c1Cl)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL166498
Phase Preclinical
Structure Type MOL
InChI Key MJZIRENFGKELPB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.2
MW (Da)
3.78
ALogP
5
HBA
1
HBD
80.8
PSA (Ų)
0.87
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 C17H16Cl2N4O2
MW 379.25
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.23

Literature References

PubMed DOI Target Context # Activities
3701792 10.1021/jm00155a038 No relevant target 2
3701792 10.1021/jm00155a038 Felis catus 1

Data from ChEMBL 36 via Core Engine