Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL305612

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Nc1ncnc2c1ncn2/C=C1/CC1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL305612
Phase Preclinical
Structure Type MOL
InChI Key BOCARSGZHMZWCE-KXFIGUGUSA-N
9
Targets
16
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
0.26
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H11N5O
MW 217.23
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.43

Activity Summary

IC50 16 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.7 6.7 200.0 1
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
 IC50 6.1 5.4 800.0 2
HFF
CHEMBL614071
 IC50 6.0 5.42 1000.0 5
HepG2
CHEMBL395
 IC50 5.7 5.7 2000.0 1
MEF
CHEMBL614342
 IC50 5.68 5.68 2100.0 1
Daudi
CHEMBL614281
 IC50 5.5 5.5 3200.0 1
Vero
CHEMBL391
 IC50 4.55 4.39 28000.0 2
Human alphaherpesvirus 1
CHEMBL377
 IC50 4.48 4.48 33000.0 1
KB
CHEMBL398
 IC50 4.11 4.11 78000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 200.0 nM 6.7 Inhibitory concentration against epstein-barr virus (EBV) infected H-1 cells was... 9438017
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 800.0 nM 6.1 Inhibitory concentration against human immunodeficiency virus type 1 (HIV-1 stra... 9438017
HFF IC50 = 1000.0 nM 6.0 Inhibitory concentration against human cytomegalovirus replication in HFF cells ... 9438017
HepG2 IC50 = 2000.0 nM 5.7 Inhibitory concentration against hepatitis B virus infected 2.2.15 cells 9438017
HFF IC50 = 2100.0 nM 5.68 Inhibitory concentration against human cytomegalovirus replication in HFF cells ... 9438017
MEF IC50 = 2100.0 nM 5.68 Inhibitory concentration against murine cytomegalovirus replication in MEF cells... 9438017
HFF IC50 = 2500.0 nM 5.6 IC50 value was evaluated by measuring the %inhibition of Varicella Zoster virus(... 9438017
Daudi IC50 = 3200.0 nM 5.5 Inhibitory concentration against epstein-barr virus (EBV) infected daudi cells w... 9438017
HFF IC50 = 10600.0 nM 4.97 Compound was tested against HFF cells infected with herpes simplex virus type 2 ... 9438017
HFF IC50 = 14000.0 nM 4.85 IC50 value was evaluated by measuring the %inhibition of Human Herpes Virus 6(HH... 9438017
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 20000.0 nM 4.7 Inhibitory concentration against human immunodeficiency virus type 1 (HIV-1 stra... 9438017
Vero IC50 = 28000.0 nM 4.55 Inhibitory concentration against herpes simplex virus type 1 (HSV-1) infected ve... 9438017
Human alphaherpesvirus 1 IC50 = 33000.0 nM 4.48 Inhibitory concentration against herpes simplex virus type 1 (HSV-1) was determi... 9438017
Vero IC50 = 59000.0 nM 4.23 Compound was tested against vero cells infected with herpes simplex virus type 2... 9438017
KB IC50 = 78000.0 nM 4.11 Cytotoxicity was evaluated by measuring the inhibition of KB cell growth. 9438017

Literature References

PubMed DOI Target Context # Activities
12161159 10.1016/s0960-894x(02)00423-7 NON-PROTEIN TARGET 12
9438017 10.1021/jm9705723 HFF 8
11689090 10.1021/jm010191w NON-PROTEIN TARGET 4
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
11689090 10.1021/jm010191w MC-38 1
14561099 10.1021/jm030048y Human immunodeficiency virus 1 1
12161159 10.1016/s0960-894x(02)00423-7 HCT-15 1
12161159 10.1016/s0960-894x(02)00423-7 MC-38 1
12161159 10.1016/s0960-894x(02)00423-7 L1210 1
9438017 10.1021/jm9705723 CEM-SS 1
9438017 10.1021/jm9705723 HepG2 1
9438017 10.1021/jm9705723 Human alphaherpesvirus 1 1
9438017 10.1021/jm9705723 KB 1
14561099 10.1021/jm030048y Human alphaherpesvirus 3 1
14561099 10.1021/jm030048y Human gammaherpesvirus 4 1

Data from ChEMBL 36 via Core Engine