Compound Detail

CHEMBL170524

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Cc1nc(C(=O)c2oc3cccc(OCCCNCc4cccnc4)c3c2C)sc1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL170524
Phase	Preclinical
Structure Type	MOL
InChI Key	BGXNBZGHAFLHDK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

435.6

MW (Da)

5.00

ALogP

HBA

HBD

77.2

PSA (Å²)

0.29

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 9.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Peptide N-myristoyltransferase CHEMBL2096973	IC50	9.15	6.2	0.7	3
Candida albicans CHEMBL366	IC50	7.41	7.065	39.0	2

Parameter	Value	Units	Species
AUC	320.0	ng.hr.mL-1	Rattus norvegicus
T1/2	0.65	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Peptide N-myristoyltransferase	IC50	=	0.71	nM	9.15	In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrat...	12467623
Candida albicans	IC50	=	39.0	nM	7.41	In vitro antifungal activity against Candida albicans (CY1002) in YNBPB medium	12467623
Candida albicans	IC50	=	190.0	nM	6.72	In vitro antifungal activity against Candida albicans (CY1002) in 80% calf serum	12467623
Peptide N-myristoyltransferase	IC50	=	4300.0	nM	5.37	In vitro inhibitory activity against Aspergillus fumigatus Nmt (AfNmt) using sub...	12467623
Peptide N-myristoyltransferase	IC50	=	83000.0	nM	4.08	In vitro inhibitory activity against human Nmt (HsNmt) using 0.5 uM peptide GNAA...	12467623

PubMed	DOI	Target Context	# Activities
12467623	10.1016/s0960-894x(02)00844-2	Peptide N-myristoyltransferase	3
12467623	10.1016/s0960-894x(02)00844-2	Candida albicans	2
12467623	10.1016/s0960-894x(02)00844-2	Rattus norvegicus	2

Data from ChEMBL 36 via Core Engine