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Compound Detail

CHEMBL430072

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CCN(CC)CCn1c2ccccc2c2cnccc21

Basic Information

ChEMBL ID CHEMBL430072
Phase Preclinical
Structure Type MOL
InChI Key QFZZLBCHVWXGKG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

267.4
MW (Da)
3.53
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N3
MW 267.38
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.22

Activity Summary

EC50 1 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bovine viral diarrhea virus 1
CHEMBL612571
EC50 5.05 5.05 8900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18289862 10.1016/j.bmc.2008.01.052 ADMET 1
18289862 10.1016/j.bmc.2008.01.052 Bovine viral diarrhea virus 1 1

Data from ChEMBL 36 via Core Engine