Molecule

Erbstatin

AlkaPlorer ID: AK326424

Synonym: None

IUPAC Name: N-[(E)-2-(2,5-dihydroxyphenyl)ethenyl]formamide

Structure

SMILES: OC=N/C=C/C1=CC(O)=CC=C1O

InChI: InChI=1S/C9H9NO3/c11-6-10-4-3-7-5-8(12)1-2-9(7)13/h1-6,12-13H,(H,10,11)/b4-3+

InChIKey: SIHZWGODIRRSRA-ONEGZZNKSA-N

Reference

Biosynthetic preparation of radioactively labeled erbstatin.

PubChem CID: 5328552

CAS: 100827-28-9

LOTUS: LTS0070559

{

NPAtlas: NPA020861

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	None	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 179.17499999999998

TPSA？: 73.05000000000001

MolLogP？: 1.6547999999999998

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	4'-phosphopantetheinyl transferase ffp	Potency	14125.4	nM	None
Bacillus subtilis (strain 168)	ATP-dependent Clp protease proteolytic subunit	Potency	22387.2	nM	None
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Potency	14091.9	nM	None
Homo sapiens	786-0	GI50	13995.87	nM	None
Homo sapiens	A-431	GI50	3.0	ug.mL-1	10.1021/np50089a001
Homo sapiens	A498	GI50	59703.53	nM	None
Homo sapiens	A549	GI50	65614.53	nM	None
Homo sapiens	ACHN	GI50	14791.08	nM	None
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	15848.9	nM	None
Homo sapiens	Ataxin-2	Potency	35481.3	nM	None
Homo sapiens	Bromodomain adjacent to zinc finger domain protein 2B	Potency	79432.8	nM	None
Homo sapiens	CAKI-1	GI50	12359.47	nM	None
Homo sapiens	Cathepsin L	IC50	59642.0	nM	None
Homo sapiens	CCRF-CEM	GI50	4111.5	nM	None
Homo sapiens	Chromobox protein homolog 1	Potency	3981.1	nM	None
Homo sapiens	COLO 205	GI50	11912.42	nM	None
Homo sapiens	DLD-1	GI50	15995.58	nM	None
Homo sapiens	DMS-114	GI50	17619.76	nM	None
Homo sapiens	DMS-273	GI50	77090.35	nM	None
Homo sapiens	DNA-(apurinic or apyrimidinic site) lyase	Potency	10000.0	nM	None
Homo sapiens	DNA dC->dU-editing enzyme APOBEC-3G	Potency	22387.2	nM	None
Homo sapiens	DNA polymerase beta	Potency	56234.1	nM	None
Homo sapiens	DNA polymerase eta	Potency	50118.7	nM	None
Homo sapiens	DNA polymerase iota	Potency	22387.2	nM	None
Homo sapiens	DNA polymerase kappa	Potency	44668.4	nM	None
Homo sapiens	DU-145	GI50	30130.06	nM	None
Homo sapiens	EKVX	GI50	18578.04	nM	None
Homo sapiens	Epidermal growth factor receptor erbB1	IC50	0.2	ug.mL-1	10.1021/np50066a009
Homo sapiens	Epidermal growth factor receptor erbB1	IC50	0.55	ug.mL-1	10.1021/np50089a001
Homo sapiens	Epidermal growth factor receptor erbB1	IC50	2000.0	nM	10.1021/jm00069a003
Homo sapiens	Epidermal growth factor receptor erbB1	IC50	3000.0	nM	10.1016/S0960-894X(01)80792-7
Homo sapiens	Epidermal growth factor receptor erbB1	IC50	14000.0	nM	10.1021/jm00130a020
Homo sapiens	Epidermal growth factor receptor erbB1	Inhibition	90.0	%	10.1016/S0960-894X(01)80792-7
Homo sapiens	Flap endonuclease 1	Potency	17782.8	nM	None
Homo sapiens	Geminin	Potency	25929.0	nM	None
Homo sapiens	Glutaminase kidney isoform, mitochondrial	Potency	35481.3	nM	None
Homo sapiens	HCC 2998	GI50	100000.0	nM	None
Homo sapiens	HCT-116	GI50	15667.51	nM	None
Homo sapiens	HCT-15	GI50	13335.21	nM	None
Homo sapiens	High-affinity choline transporter	IC50	751.14	nM	None
Homo sapiens	High-affinity choline transporter	IC50	4173.12	nM	None
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	1412.5	nM	None
Homo sapiens	HL-60	GI50	5140.44	nM	None
Homo sapiens	HOP-18	GI50	40550.85	nM	None
Homo sapiens	HOP-62	GI50	74131.02	nM	None
Homo sapiens	HOP-92	GI50	11641.26	nM	None
Homo sapiens	HT-29	GI50	22233.1	nM	None
Homo sapiens	IGROV-1	GI50	26181.83	nM	None
Homo sapiens	K562	GI50	14757.07	nM	None
Homo sapiens	KM12	GI50	89330.55	nM	None
Homo sapiens	KM-20L2	GI50	52239.62	nM	None
Homo sapiens	Lethal(3)malignant brain tumor-like protein 1	Potency	15848.9	nM	None
Homo sapiens	LOX IMVI	GI50	13963.68	nM	None
Homo sapiens	LXFL 529	GI50	11614.49	nM	None
Homo sapiens	Lysine-specific demethylase 4A	Potency	3162.3	nM	None
Homo sapiens	Lysine-specific demethylase 4D-like	Potency	28183.8	nM	None
Homo sapiens	Lysosomal alpha-glucosidase	Potency	22387.2	nM	None
Homo sapiens	M14	GI50	14859.36	nM	None
Homo sapiens	M19-MEL	GI50	13335.21	nM	None
Homo sapiens	Malme-3M	GI50	17906.06	nM	None
Homo sapiens	MCF7	GI50	11297.96	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	25118.9	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	28183.8	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	31622.8	nM	None
Homo sapiens	MOLT-4	GI50	22908.68	nM	None
Homo sapiens	NCI/ADR-RES	GI50	18113.4	nM	None
Homo sapiens	NCI-H226	GI50	43954.16	nM	None
Homo sapiens	NCI-H23	GI50	18793.17	nM	None
Homo sapiens	NCI-H322M	GI50	100000.0	nM	None
Homo sapiens	NCI-H460	GI50	56234.13	nM	None
Homo sapiens	NCI-H522	GI50	4602.57	nM	None
Homo sapiens	OVCAR-3	GI50	9354.06	nM	None
Homo sapiens	OVCAR-4	GI50	17782.79	nM	None
Homo sapiens	OVCAR-5	GI50	85703.78	nM	None
Homo sapiens	OVCAR-8	GI50	17782.79	nM	None
Homo sapiens	PC-3	GI50	100000.0	nM	None
Homo sapiens	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Potency	35481.3	nM	None
Homo sapiens	Pyruvate kinase isozymes M1/M2	Potency	10000.0	nM	None
Homo sapiens	Regulator of G-protein signaling 4	Potency	50118.7	nM	None
Homo sapiens	RPMI-8226	GI50	26302.68	nM	None
Homo sapiens	RXF 393	GI50	13031.67	nM	None
Homo sapiens	RXF 631	GI50	18492.69	nM	None
Homo sapiens	Serine/threonine-protein kinase PLK1	Potency	37685.8	nM	None
Homo sapiens	SF-268	GI50	17179.08	nM	None
Homo sapiens	SF-295	GI50	58076.44	nM	None
Homo sapiens	SF-539	GI50	22698.65	nM	None
Homo sapiens	SK-MEL-2	GI50	29308.93	nM	None
Homo sapiens	SK-MEL-28	GI50	23442.29	nM	None
Homo sapiens	SK-MEL-5	GI50	18749.95	nM	None
Homo sapiens	SK-OV-3	GI50	62373.48	nM	None
Homo sapiens	SN12C	GI50	16672.47	nM	None
Homo sapiens	SN12K1	GI50	16180.8	nM	None
Homo sapiens	SNB-19	GI50	66680.68	nM	None
Homo sapiens	SNB-75	GI50	62373.48	nM	None
Homo sapiens	SNB-78	GI50	19010.78	nM	None
Homo sapiens	SR	GI50	4385.31	nM	None
Homo sapiens	SW-620	GI50	8749.84	nM	None
Homo sapiens	TK-10	GI50	17021.59	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	4109.5	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	4610.9	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	7943.3	nM	None
Homo sapiens	U-251	GI50	42266.86	nM	None
Homo sapiens	UACC-257	GI50	13489.63	nM	None
Homo sapiens	UACC-62	GI50	13740.42	nM	None
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 1	Potency	50118.7	nM	None
Homo sapiens	UO-31	GI50	29716.66	nM	None
Homo sapiens	XF498	GI50	19815.27	nM	None
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)	Human immunodeficiency virus type 1 Tat protein	IC50	10970.0	nM	None
Leishmania mexicana	Pyruvate kinase	Potency	4466.8	nM	None
Leishmania mexicana	Pyruvate kinase	Potency	41052.6	nM	None
Mus musculus	Epidermal growth factor receptor erbB1	IC50	0.2	ug.mL-1	10.1021/np50066a009
Mus musculus	L1210	GI50	3.0	ug.mL-1	10.1021/np50089a001
Mus musculus	L1210	T/C	155.0	%	10.1021/np50089a001
Mus musculus	Nuclear receptor ROR-gamma	Potency	11220.2	nM	None
Mus musculus	Nuclear receptor ROR-gamma	Potency	15848.9	nM	None
Mus musculus	P388	GI50	2103.78	nM	None
Mus musculus	P388/ADR	GI50	2018.37	nM	None
Photinus pyralis	Luciferin 4-monooxygenase	Potency	23934.1	nM	None
Plasmodium falciparum 3D7	M18 aspartyl aminopeptidase	IC50	3719.0	nM	None
Rattus norvegicus	Thioredoxin reductase 1, cytoplasmic	Potency	70794.6	nM	None
Schistosoma mansoni	Thioredoxin glutathione reductase	Potency	6309.6	nM	None
Trypanosoma brucei	6-phospho-1-fructokinase	Potency	30131.3	nM	None
None	NON-PROTEIN TARGET	GI50	3.0	ug.mL-1	10.1021/np50089a001
None	Unchecked	IC50	25.0	ug.mL-1	10.1021/np50066a009
None	Unchecked	IC50	100.0	ug.mL-1	10.1021/np50066a009
None	Unchecked	IC50	179.0	ug.mL-1	10.1021/np50066a009
None	Unchecked	IC50	1720.0	nM	None
None	Unchecked	Potency	3162.3	nM	None
None	Unchecked	Potency	14125.4	nM	None
None	Unchecked	Potency	35481.3	nM	None