Compound Detail

CHEMBL329785

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Nc1nc2ccccc2s1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL329785
Phase	Preclinical
Structure Type	MOL
InChI Key	UHGULLIUJBCTEF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

150.2

MW (Da)

1.88

ALogP

HBA

HBD

38.9

PSA (Å²)

0.62

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 1 meas.

Kd 1 meas.

Ki 1 meas.

Parameter	Value	Units	Species
CL	17.78	mL.min-1.g-1	Homo sapiens

PubMed	DOI	Target Context	# Activities
22982122	10.1016/j.ejmech.2012.08.021	MCF7	5
23664164	10.1016/j.bmc.2013.04.011	Amine oxidase [copper-containing] 3	2
23750537	10.1021/jm4001488	5'-AMP-activated protein kinase catalytic subunit alpha-2	2
31922756	10.1021/acs.jmedchem.9b01492	Neutrophil cytosol factor 1	2
23140987	10.1016/j.bmc.2012.10.007	Candida albicans	2
19502068	10.1016/j.bmc.2009.05.039	Radical scavenging activity	2
23140987	10.1016/j.bmc.2012.10.007	Pichia kudriavzevii	2
23140987	10.1016/j.bmc.2012.10.007	Trichosporon asahii	2
21126022	10.1021/jm1010572	Pteridine reductase 1	2
23140987	10.1016/j.bmc.2012.10.007	Trichophyton mentagrophytes	2
23140987	10.1016/j.bmc.2012.10.007	No relevant target	2
23140987	10.1016/j.bmc.2012.10.007	Staphylococcus aureus	2
23140987	10.1016/j.bmc.2012.10.007	Staphylococcus epidermidis	2
22982122	10.1016/j.ejmech.2012.08.021	Mitogen-activated protein kinase; ERK1/ERK2	1
23140987	10.1016/j.bmc.2012.10.007	Mycobacterium kansasii	1
10508434	10.1021/jm990293a	Unchecked	1
21126022	10.1021/jm1010572	Bifunctional dihydrofolate reductase-thymidylate synthase	1
21126022	10.1021/jm1010572	Dihydrofolate reductase	1
15481978	10.1021/jm049533z	No relevant target	1
10425092	10.1021/jm980202u	No relevant target	1

Data from ChEMBL 36 via Core Engine