Compound Detail

CHEMBL374107

8-AZAGUANINE

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Nc1nc(O)c2[nH]nnc2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL374107
Name	8-AZAGUANINE
Phase	Preclinical
Structure Type	MOL
InChI Key	LPXQRXLUHJKZIE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

152.1

MW (Da)

-0.96

ALogP

HBA

HBD

113.6

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 11 meas. best 6.19

EC50 2 meas. best 6.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	EC50	6.82	5.905	153.0	2
Transcriptional activator protein LasR CHEMBL1075207	IC50	6.19	6.19	640.0	1
HEp-2 CHEMBL614735	IC50	5.7	5.7	2000.0	1
Unchecked CHEMBL612545	IC50	5.59	5.19	2560.0	3
SARS-CoV-2 CHEMBL4303835	IC50	5.43	5.21	3720.0	4
Plasmodium falciparum CHEMBL364	IC50	5.18	4.965	6600.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	EC50	=	153.0	nM	6.82	PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ...	-
Transcriptional activator protein LasR	IC50	=	640.0	nM	6.19	Antagonist activity at LasR in Pseudomonas aeruginosa PAO1 harboring GFP-fused q...	29999316
HEp-2	IC50	=	2000.0	nM	5.7	Cytotoxicity against H.Ep cells	6620307
Unchecked	IC50	=	2560.0	nM	5.59	PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel...	-
SARS-CoV-2	IC50	=	3720.0	nM	5.43	Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o...	-
SARS-CoV-2	IC50	=	3720.0	nM	5.43	Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o...	-
Unchecked	IC50	=	5000.0	nM	5.3	Inhibition of rat aortic smooth muscle cell GCH1 expressed in Escherichia coli a...	-
Plasmodium falciparum	IC50	=	6600.0	nM	5.18	Inhibition of [3H]hypoxanthine uptake in Plasmodium falciparum 3D7	17149876
Unchecked	EC50	=	10345.0	nM	4.99	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C...	-
SARS-CoV-2	IC50	=	10340.0	nM	4.99	Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o...	-
SARS-CoV-2	IC50	=	10340.0	nM	4.99	Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o...	-
Plasmodium falciparum	IC50	=	18000.0	nM	4.75	Antiplasmodial activity against Plasmodium falciparum 3D7	17149876
Unchecked	IC50	=	21000.0	nM	4.68	Inhibition of recombinant rat GCH1 assessed as reduction in 7,8-dihydroneoptrein...	-

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4495565	SARS-CoV-2	8
-	10.6019/CHEMBL4651402	SARS-CoV-2	4
-	10.6019/CHEMBL4495565	Vero C1008	4
-	10.6019/CHEMBL4495565	ADMET	4
17149876	10.1021/jm061012j	Hypoxanthine-guanine phosphoribosyltransferase	2
17149876	10.1021/jm061012j	Unchecked	2
17149876	10.1021/jm061012j	Plasmodium falciparum	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.6019/CHEMBL4651402	Vero C1008	2
6620307	10.1021/jm00364a023	HEp-2	2
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
38318365	10.1016/j.isci.2024.108907	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	1
-	10.6019/EOS300108	HepG2	1
-	10.6019/EOS300033	SARS-CoV-2	1
-	10.1101/2020.04.03.023846	SARS-CoV-2	1
29999316	10.1021/acs.jmedchem.8b00540	Transcriptional activator protein LasR	1
31484	10.1021/jm00207a008	Purine nucleoside phosphorylase	1
18834112	10.1021/jm800656v	Amine oxidase [flavin-containing] B	1
18834112	10.1021/jm800656v	Amine oxidase [flavin-containing] A	1

Data from ChEMBL 36 via Core Engine