Compound Detail

CHEMBL211501

ANTIMYCIN A

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CCCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL211501
Name	ANTIMYCIN A
Phase	Preclinical
Structure Type	MOL
InChI Key	UIFFUZWRFRDZJC-SBOOETFBSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

548.6

MW (Da)

3.48

ALogP

HBA

HBD

157.3

PSA (Å²)

0.12

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 9 meas. best 8.7

Ki 2 meas. best 5.66

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mitochondrial complex II; succinate dehydrogenase CHEMBL613815	IC50	8.7	8.7	2.0	1
Plasmodium berghei CHEMBL612653	IC50	8.64	8.64	2.3	1
HepG2 CHEMBL395	IC50	6.92	6.92	120.0	1
Mitogen-activated protein kinase 1 CHEMBL4040	IC50	5.67	5.67	2116.0	1
Solute carrier organic anion transporter family member 1B1 CHEMBL1697668	Ki	5.66	5.66	2200.0	1
Plasmodium falciparum CHEMBL364	IC50	5.66	5.66	2186.0	1
Solute carrier organic anion transporter family member 1B3 CHEMBL1743121	Ki	5.42	5.42	3820.0	1
A549 CHEMBL392	IC50	5.19	5.19	6500.0	1
HL-60 CHEMBL383	IC50	4.35	4.35	45000.0	1
Bile salt export pump CHEMBL6020	IC50	4.35	4.285	45000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mitochondrial complex II; succinate dehydrogenase	IC50	=	2.0	nM	8.7	Inhibition of Septoria nodorum succinate dehydrogenase and Qi site of mitochondr...	16854082
Plasmodium berghei	IC50	=	2.3	nM	8.64	HARVARD: Inhibition of liver stage Plasmodium berghei infection in HepG2 cells	22586124
HepG2	IC50	=	120.0	nM	6.92	Cytotoxicity against human HepG2 cells assessed as reduction in cell viability i...	37736177
Mitogen-activated protein kinase 1	IC50	=	2116.0	nM	5.67	DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: ...	-
Plasmodium falciparum	IC50	=	2186.0	nM	5.66	Antiplasmodial activity against Plasmodium falciparum 3D7 infected in RBCs by fi...	20547797
Solute carrier organic anion transporter family member 1B1	Ki	=	2200.0	nM	5.66	Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells	23571415
Solute carrier organic anion transporter family member 1B3	Ki	=	3820.0	nM	5.42	Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells	23571415
A549	IC50	=	6500.0	nM	5.19	Antiproliferative activity against human A549 cells assessed as cell death	32035700
HL-60	IC50	=	45000.0	nM	4.35	Cytotoxicity against human HL60 cells	21830784
Bile salt export pump	IC50	=	45000.0	nM	4.35	Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane ves...	20829430
Bile salt export pump	IC50	=	59600.0	nM	4.22	Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as...	23956101

PubMed	DOI	Target Context	# Activities
19685448	10.1002/ps.1820	Botrytis cinerea	4
24393721	10.1016/j.bmc.2013.12.036	Unchecked	4
17088489	10.1128/aac.00729-05	Osteoblast	3
16854082	10.1021/jm060408s	Mitochondrial complex II; succinate dehydrogenase	2
19278021	10.1002/ps.1747	Drosophila melanogaster	2
30417645	10.1021/acs.jnatprod.8b00559	RBL-2H3	2
36540942	10.1021/acs.jmedchem.2c01092	Presenilin-associated rhomboid-like protein, mitochondrial	2
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B3	2
28233680	10.1016/j.bmc.2017.01.046	AMP-activated protein kinase, AMPK	2
28337336	10.1039/C6MD00236F	HepG2	2
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B1	2
37736177	10.1021/acsmedchemlett.3c00295	Mycobacterium tuberculosis	2
37736177	10.1021/acsmedchemlett.3c00295	HepG2	2
17088489	10.1128/aac.00729-05	MG-63	2
16854082	10.1021/jm060408s	Parastagonospora nodorum	2
10096868	10.1021/np9804233	SK-OV-3	1
10096868	10.1021/np9804233	SK-MEL-2	1
10096868	10.1021/np9804233	XF498	1
38318365	10.1016/j.isci.2024.108907	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	1
19097788	10.1016/j.bmcl.2008.11.071	Unchecked	1

Data from ChEMBL 36 via Core Engine