Compound Detail

CHEMBL446125

FASCAPLYSIN A

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CC1=C(CC/C(C)=C/CC/C(C)=C/CCC(CC(=O)O)C(=O)[O-])C(C)(C)CCC1.O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc43)c21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL446125
Name	FASCAPLYSIN A
Phase	Preclinical
Structure Type	MOL
InChI Key	LORHTOVIKVOXSY-YOEDIAEGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

674.9

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C43H50N2O5
MW	674.88

Activity Summary

IC50 49 meas. best 6.28

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
SK-MEL-5 CHEMBL614922	IC50	6.28	6.28	530.0	1
Malme-3M CHEMBL614021	IC50	6.27	6.27	540.0	1
MDA-N CHEMBL614078	IC50	6.24	6.24	580.0	1
MDA-MB-435 CHEMBL614697	IC50	6.24	6.24	570.0	1
COLO 205 CHEMBL614561	IC50	6.08	6.08	830.0	1
HOP-92 CHEMBL613889	IC50	6.0	6.0	1000.0	1
HT-29 CHEMBL384	IC50	5.85	5.85	1400.0	1
HCT-116 CHEMBL394	IC50	5.8	5.8	1600.0	1
IGROV-1 CHEMBL613984	IC50	5.77	5.77	1700.0	1
SF-539 CHEMBL614860	IC50	5.66	5.66	2200.0	1
OVCAR-3 CHEMBL614213	IC50	5.51	5.51	3100.0	1
UACC-62 CHEMBL614610	IC50	5.5	5.5	3200.0	1
SN12C CHEMBL614054	IC50	5.5	5.5	3200.0	1
RXF 393 CHEMBL614886	IC50	5.46	5.46	3500.0	1
UACC-257 CHEMBL612796	IC50	5.42	5.42	3800.0	1
HCC 2998 CHEMBL613855	IC50	5.42	5.42	3800.0	1
SW-620 CHEMBL612262	IC50	5.41	5.41	3900.0	1
SK-MEL-28 CHEMBL614919	IC50	5.41	5.41	3900.0	1
U-251 CHEMBL615022	IC50	5.39	5.39	4100.0	1
M14 CHEMBL614317	IC50	5.38	5.38	4200.0	1
NCI-H322M CHEMBL614803	IC50	5.37	5.37	4300.0	1
OVCAR-4 CHEMBL614051	IC50	5.35	5.35	4500.0	1
MCF7 CHEMBL387	IC50	5.3	5.3	5000.0	1
HOP-62 CHEMBL614643	IC50	5.29	5.29	5100.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.29	5.29	5100.0	1
NCI-H23 CHEMBL614997	IC50	5.29	5.29	5100.0	1
BT-549 CHEMBL614072	IC50	5.29	5.29	5100.0	1
SF-295 CHEMBL614908	IC50	5.28	5.28	5200.0	1
OVCAR-8 CHEMBL612555	IC50	5.28	5.28	5300.0	1
SNB-75 CHEMBL614451	IC50	5.28	5.28	5200.0	1
EKVX CHEMBL614487	IC50	5.28	5.28	5200.0	1
SNB-19 CHEMBL614164	IC50	5.27	5.27	5400.0	1
PC-3 CHEMBL390	IC50	5.27	5.27	5400.0	1
ACHN CHEMBL614519	IC50	5.26	5.26	5500.0	1
DU-145 CHEMBL613508	IC50	5.25	5.25	5600.0	1
UO-31 CHEMBL614388	IC50	5.25	5.25	5600.0	1
SF-268 CHEMBL613977	IC50	5.24	5.24	5700.0	1
HCT-15 CHEMBL612263	IC50	5.24	5.24	5800.0	1
OVCAR-5 CHEMBL614214	IC50	5.24	5.24	5800.0	1
LOX IMVI CHEMBL614096	IC50	5.2	5.2	6300.0	1
NCI-H522 CHEMBL614387	IC50	5.2	5.2	6300.0	1
NCI-H460 CHEMBL396	IC50	5.19	5.19	6400.0	1
T47D CHEMBL614361	IC50	5.18	5.18	6600.0	1
MDA-MB-231 CHEMBL400	IC50	5.17	5.17	6800.0	1
KM12 CHEMBL614709	IC50	5.14	5.14	7300.0	1
CAKI-1 CHEMBL614067	IC50	5.14	5.14	7300.0	1
A549 CHEMBL392	IC50	5.12	5.12	7600.0	1
SK-OV-3 CHEMBL614925	IC50	5.11	5.11	7700.0	1
NCI-H226 CHEMBL614740	IC50	5.08	5.08	8300.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
SK-MEL-5	IC50	=	530.0	nM	6.28	Antitumor activity against human SK-MEL-5 cells	15165138
Malme-3M	IC50	=	540.0	nM	6.27	Antitumor activity against human MALME-3M cells	15165138
MDA-MB-435	IC50	=	570.0	nM	6.24	Antitumor activity against human MDA-MB-435 cells	15165138
MDA-N	IC50	=	580.0	nM	6.24	Antitumor activity against human MDA-N cells	15165138
COLO 205	IC50	=	830.0	nM	6.08	Antitumor activity against human COLO205 cells	15165138
HOP-92	IC50	=	1000.0	nM	6.0	Antitumor activity against human HOP92 cells	15165138
HT-29	IC50	=	1400.0	nM	5.85	Antitumor activity against human HT-29 cells	15165138
HCT-116	IC50	=	1600.0	nM	5.8	Antitumor activity against human HCT116 cells	15165138
IGROV-1	IC50	=	1700.0	nM	5.77	Antitumor activity against human IGROV1 cells	15165138
SF-539	IC50	=	2200.0	nM	5.66	Antitumor activity against human SF539 cells	15165138
OVCAR-3	IC50	=	3100.0	nM	5.51	Antitumor activity against human OVCAR-3 cells	15165138
UACC-62	IC50	=	3200.0	nM	5.5	Antitumor activity against human UACC62 cells	15165138
SN12C	IC50	=	3200.0	nM	5.5	Antitumor activity against human SN12C cells	15165138
RXF 393	IC50	=	3500.0	nM	5.46	Antitumor activity against human RXF393 cells	15165138
UACC-257	IC50	=	3800.0	nM	5.42	Antitumor activity against human UACC257 cells	15165138
HCC 2998	IC50	=	3800.0	nM	5.42	Antitumor activity against human HCC2998 cells	15165138
SK-MEL-28	IC50	=	3900.0	nM	5.41	Antitumor activity against human SK-MEL-28 cells	15165138
SW-620	IC50	=	3900.0	nM	5.41	Antitumor activity against human SW620 cells	15165138
U-251	IC50	=	4100.0	nM	5.39	Antitumor activity against human U251 cells	15165138
M14	IC50	=	4200.0	nM	5.38	Antitumor activity against human M14 cells	15165138

Literature References

PubMed	DOI	Target Context	# Activities
15165138	10.1021/np049935+	NON-PROTEIN TARGET	2
15165138	10.1021/np049935+	MCF7	2
15165138	10.1021/np049935+	SNB-75	1
15165138	10.1021/np049935+	UACC-62	1
15165138	10.1021/np049935+	UACC-257	1
15165138	10.1021/np049935+	COLO 205	1
15165138	10.1021/np049935+	SK-MEL-28	1
15165138	10.1021/np049935+	M14	1
15165138	10.1021/np049935+	Malme-3M	1
15165138	10.1021/np049935+	LOX IMVI	1
15165138	10.1021/np049935+	U-251	1
15165138	10.1021/np049935+	HCC 2998	1
15165138	10.1021/np049935+	SNB-19	1
15165138	10.1021/np049935+	SF-539	1
15165138	10.1021/np049935+	SF-295	1
15165138	10.1021/np049935+	SF-268	1
15165138	10.1021/np049935+	SW-620	1
15165138	10.1021/np049935+	KM12	1
15165138	10.1021/np049935+	HT-29	1
15165138	10.1021/np049935+	HCT-15	1

Data from ChEMBL 36 via Core Engine