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Compound Detail

CHEMBL370489

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

Basic Information

ChEMBL ID CHEMBL370489
Phase Preclinical
Structure Type MOL
InChI Key JMZQVZXDDGZTNB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

527.1
MW (Da)
6.23
ALogP
4
HBA
0
HBD
48.9
PSA (Ų)
0.23
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 C31H31ClN4O2
MW 527.07
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.52

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