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Compound Detail

CHEMBL123983

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Nc1nc(F)nc2c1ncn2[C@H]1CO[C@@H](CO)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL123983
Phase Preclinical
Structure Type MOL
InChI Key CDNIAFXFMZPGPJ-RFZPGFLSSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

255.2
MW (Da)
-0.59
ALogP
8
HBA
2
HBD
108.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10FN5O3
MW 255.21
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.34

Activity Summary

EC50 1 meas. best 6.52
IC50 1 meas. best 4.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ADMET
CHEMBL612558
 EC50 6.52 6.52 300.0 1
Vero
CHEMBL391
 IC50 4.03 4.03 93300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ADMET EC50 = 300.0 nM 6.52 Antiviral activity was evaluated in mitogen-stimulated human peripheral blood mo... 8421287
Vero IC50 = 93300.0 nM 4.03 Cytotoxicity against uninfected PHA-stimulated vero cells was determined 8421287

Literature References

PubMed DOI Target Context # Activities
8421287 10.1021/jm00053a004 ADMET 2
8421287 10.1021/jm00053a004 Vero 1
8421287 10.1021/jm00053a004 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine