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Compound Detail

CHEMBL306257

SYNGUANOL
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Nc1nc(O)c2ncn(/C=C3/CC3CO)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL306257
Name SYNGUANOL
Phase Preclinical
Structure Type MOL
InChI Key BGLCIGGDZYNYIQ-DJWKRKHSSA-N
8
Targets
12
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

233.2
MW (Da)
-0.03
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.67
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 C10H11N5O2
MW 233.23
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.05

Activity Summary

IC50 12 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HFF
CHEMBL614071
 IC50 7.4 5.174 40.0 5
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.52 6.52 300.0 1
MEF
CHEMBL614342
 IC50 6.52 6.52 300.0 1
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
 IC50 5.96 5.96 1100.0 1
Daudi
CHEMBL614281
 IC50 5.25 5.25 5600.0 1
HepG2
CHEMBL395
 IC50 5.0 5.0 10000.0 1
Vero
CHEMBL391
 IC50 4.07 4.07 85000.0 1
Human alphaherpesvirus 1
CHEMBL377
 IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HFF IC50 = 40.0 nM 7.4 Inhibitory concentration against human cytomegalovirus replication in HFF cells ... 9438017
MEF IC50 = 300.0 nM 6.52 Inhibitory concentration against murine cytomegalovirus replication in MEF cells... 9438017
NON-PROTEIN TARGET IC50 = 300.0 nM 6.52 Inhibitory concentration against epstein-barr virus (EBV) infected H-1 cells was... 9438017
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 1100.0 nM 5.96 Inhibitory concentration against human immunodeficiency virus type 1 (HIV-1 stra... 9438017
HFF IC50 = 2100.0 nM 5.68 Inhibitory concentration against human cytomegalovirus replication in HFF cells ... 9438017
Daudi IC50 = 5600.0 nM 5.25 Inhibitory concentration against epstein-barr virus (EBV) infected daudi cells w... 9438017
HepG2 IC50 = 10000.0 nM 5.0 Inhibitory concentration against hepatitis B virus infected 2.2.15 cells 9438017
HFF IC50 = 42500.0 nM 4.37 IC50 value was evaluated by measuring the %inhibition of Human Herpes Virus 6(HH... 9438017
HFF IC50 = 61700.0 nM 4.21 Inhibitory concentration against herpes simplex virus type 1 (HSV-1) infected HF... 9438017
HFF IC50 = 61300.0 nM 4.21 IC50 value was evaluated by measuring the %inhibition of Varicella Zoster virus(... 9438017
Vero IC50 = 85000.0 nM 4.07 Inhibitory concentration against herpes simplex virus type 1 (HSV-1) infected ve... 9438017
Human alphaherpesvirus 1 IC50 = 100000.0 nM 4.0 Inhibitory concentration against herpes simplex virus type 1 (HSV-1) was determi... 9438017

Literature References

PubMed DOI Target Context # Activities
9438017 10.1021/jm9705723 HFF 8
9438017 10.1021/jm9705723 MEF 2
9438017 10.1021/jm9705723 Vero 2
9438017 10.1021/jm9705723 CCRF-CEM 2
9438017 10.1021/jm9705723 NON-PROTEIN TARGET 2
9438017 10.1021/jm9705723 Daudi 2
9438017 10.1021/jm9705723 Human immunodeficiency virus type 1 reverse transcriptase 2
9438017 10.1021/jm9705723 KB 1
9438017 10.1021/jm9705723 Human alphaherpesvirus 1 1
9438017 10.1021/jm9705723 HepG2 1
9438017 10.1021/jm9705723 CEM-SS 1
18285481 10.1128/aac.01241-07 BK polyomavirus 1
18285481 10.1128/aac.01241-07 ADMET 1
18285481 10.1128/aac.01241-07 Unchecked 1

Data from ChEMBL 36 via Core Engine