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Compound Detail

CHEMBL191798

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O=C1N(CCC2(CCOc3ccc(-c4ccc(Cl)cc4)cc3)CCCCC2)CCN1c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL191798
Phase Preclinical
Structure Type MOL
InChI Key JCAMUFVSHGJUAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

504.1
MW (Da)
7.45
ALogP
3
HBA
0
HBD
45.7
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34ClN3O2
MW 504.07
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
15887961 10.1021/jm050033v Enterovirus 2
15887961 10.1021/jm050033v ADMET 1

Data from ChEMBL 36 via Core Engine