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Compound Detail

CHEMBL4644532

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CC(C)CCNc1ccc(C#N)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4644532
Phase Preclinical
Structure Type MOL
InChI Key SDWISRVEDDXRSV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

397.0
MW (Da)
4.99
ALogP
4
HBA
1
HBD
42.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29ClN4
MW 396.97
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.79

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
32378892 10.1021/acs.jmedchem.0c00232 Unchecked 2
32378892 10.1021/acs.jmedchem.0c00232 Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine