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Compound Detail

CHEMBL281622

CP-339818
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CCCCC/N=c1\ccn(Cc2ccccc2)c2ccccc12

Basic Information

ChEMBL ID CHEMBL281622
Name CP-339818
Phase Preclinical
Structure Type MOL
InChI Key MMGAVKCAGQCFHS-LSDHQDQOSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
4.78
ALogP
2
HBA
0
HBD
17.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H24N2
MW 304.44
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.71

Activity Summary

IC50 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
IC50 6.7 6.7 200.0 1
Potassium voltage-gated channel subfamily A member 3
CHEMBL4818
IC50 6.64 6.64 230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
10612582 10.1016/s0960-894x(99)00601-0 Potassium voltage-gated channel subfamily A member 3 1
11312924 10.1021/jm001007u Potassium voltage-gated channel subfamily A member 3 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine