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Compound Detail

CHEMBL195750

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O=C1N(CCC(CCOc2ccc(-c3ccc(Cl)cc3)cc2)Cc2ccccc2)CCN1c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL195750
Phase Preclinical
Structure Type MOL
InChI Key UIXNOFHRGPKLPI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

526.1
MW (Da)
7.36
ALogP
3
HBA
0
HBD
45.7
PSA (Ų)
0.21
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H32ClN3O2
MW 526.08
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.76

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