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Compound Detail

CHEMBL14710

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C=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCCC#N)c2ccccc21

Basic Information

ChEMBL ID CHEMBL14710
Phase Preclinical
Structure Type MOL
InChI Key VVVYRHDZSSSOMJ-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
4.00
ALogP
6
HBA
0
HBD
68.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N5O
MW 371.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.18

Activity Summary

EC50 3 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 8.3 8.3 5.0 2
HEp-2
CHEMBL614735
EC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14980651 10.1016/j.bmcl.2003.12.072 HEp-2 2
14980651 10.1016/j.bmcl.2003.12.072 ADMET 1
17169560 10.1016/j.bmcl.2006.11.063 Respiratory syncytial virus 1
17169560 10.1016/j.bmcl.2006.11.063 ADMET 1
21413808 10.1021/jm1013693 Respiratory syncytial virus 1

Data from ChEMBL 36 via Core Engine