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Compound Detail

CHEMBL485100

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C[C@H](O)[C@H](Nc1nc(N)nc2c1ncn2CCOCP(=O)(O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485100
Phase Preclinical
Structure Type MOL
InChI Key UHTZPSFYHAYYTL-BQBZGAKWSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

390.3
MW (Da)
-1.19
ALogP
10
HBA
6
HBD
205.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H19N6O7P
MW 390.29
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.47

Activity Summary

EC50 2 meas. best 4.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Camelpox virus
CHEMBL613332
 EC50 4.2 4.17 63000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Camelpox virus EC50 = 63000.0 nM 4.2 Antiviral activity against Camelpox virus CML1 infected in HEL299 cells assessed... 17893157
Camelpox virus EC50 = 71600.0 nM 4.14 Antiviral activity against Camelpox virus CML14 infected in HEL299 cells assesse... 17893157

Literature References

PubMed DOI Target Context # Activities
17893157 10.1128/aac.00838-07 ADMET 4
17893157 10.1128/aac.00838-07 Unchecked 4
17893157 10.1128/aac.00838-07 Camelpox virus 4

Data from ChEMBL 36 via Core Engine