Compound Detail

CHEMBL204813

SANGGENON C

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CC(C)=CC[C@]12Oc3cc(O)c([C@H]4C=C(C)C[C@H](c5ccc(O)cc5O)[C@H]4C(=O)c4ccc(O)cc4O)c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL204813
Name	SANGGENON C
Phase	Preclinical
Structure Type	MOL
InChI Key	XETHJOZXBVWLLM-HUKCQOFTSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

708.7

MW (Da)

6.25

ALogP

HBA

HBD

214.4

PSA (Å²)

0.08

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 9 meas. best 5.9

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hypoxia-inducible factor 1-alpha CHEMBL4261	IC50	5.9	5.9	1260.0	1
Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335	IC50	5.58	5.58	2600.0	1
Hep 3B2 CHEMBL4296437	IC50	5.5	5.5	3200.0	1
Pancreatic triacylglycerol lipase CHEMBL1812	IC50	5.48	5.48	3280.0	1
SARS-CoV-2 CHEMBL4303835	IC50	5.34	5.34	4600.0	1
Replicase polyprotein 1ab CHEMBL4523582	IC50	5.14	5.14	7200.0	1
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345	IC50	5.08	5.08	8260.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hypoxia-inducible factor 1-alpha	IC50	=	1260.0	nM	5.9	Inhibition of hypoxia-induced HIF1alpha protein accumulation in human Hep3B cell...	19072214
Tyrosine-protein phosphatase non-receptor type 1	IC50	=	2600.0	nM	5.58	Inhibition of PTP1B	16356713
Hep 3B2	IC50	=	3200.0	nM	5.5	Inhibition of hypoxia-induced VEGF protein secretion in human Hep3B cells after ...	19072214
Pancreatic triacylglycerol lipase	IC50	=	3280.0	nM	5.48	Negative allosteric modulator activity at human Pancreatic lipase using DDAO-ol ...	37490786
SARS-CoV-2	IC50	=	4600.0	nM	5.34	Antiviral activity against SARS-CoV-2 FFM7/MT358643 infected in human Calu-3 cel...	36651644
Replicase polyprotein 1ab	IC50	=	7200.0	nM	5.14	Inhibition of 6his/TEV-fused GST tagged SARS-CoV-2 MPro (1 to 306 residues) expr...	36651644
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha	IC50	=	8260.0	nM	5.08	Inhibition of hypoxia-induced HIF1 activation in human Hep3B cells by pGL3-HRE-l...	19072214

PubMed	DOI	Target Context	# Activities
3097265	10.1021/np50046a013	Platelet	5
36651644	10.1021/acs.jnatprod.2c00843	Replicase polyprotein 1ab	3
36543521	10.1021/acs.jnatprod.2c00481	Influenza A virus	3
11429996	10.1021/np000317c	ADMET	2
36543521	10.1021/acs.jnatprod.2c00481	Staphylococcus aureus	2
36543521	10.1021/acs.jnatprod.2c00481	Streptococcus pneumoniae	2
36543521	10.1021/acs.jnatprod.2c00481	Influenza B virus	2
28485933	10.1021/acs.jnatprod.7b00081	Danio rerio	2
37490786	10.1016/j.bmc.2023.117413	Pancreatic triacylglycerol lipase	1
16356713	10.1016/j.bmcl.2005.11.071	Tyrosine-protein phosphatase non-receptor type 1	1
36651644	10.1021/acs.jnatprod.2c00843	Calu-3	1
36651644	10.1021/acs.jnatprod.2c00843	SARS-CoV-2	1
36543521	10.1021/acs.jnatprod.2c00481	Calu-3	1
36543521	10.1021/acs.jnatprod.2c00481	A549	1
19072214	10.1021/np800491u	Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha	1
19072214	10.1021/np800491u	Hep 3B2	1
19072214	10.1021/np800491u	Hypoxia-inducible factor 1-alpha	1
11429996	10.1021/np000317c	NON-PROTEIN TARGET	1
11429996	10.1021/np000317c	HSC-2	1
16356713	10.1016/j.bmcl.2005.11.071	Unchecked	1

Data from ChEMBL 36 via Core Engine