Compound Detail

CHEMBL602937

FASCAPLYSIN

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O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc43)c21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL602937
Name	FASCAPLYSIN
Phase	Preclinical
Structure Type	MOL
InChI Key	WYQIPCUPNMRAKP-UHFFFAOYSA-O

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

271.3

MW (Da)

3.14

ALogP

HBA

HBD

36.7

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 10 meas. best 6.47

Ki 2 meas. best 5.64

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NFF CHEMBL614198	IC50	6.47	6.47	339.0	1
Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601	IC50	6.46	6.46	350.0	1
LNCaP CHEMBL612518	IC50	6.27	6.27	540.0	1
Acetylcholinesterase CHEMBL4078	IC50	5.83	5.83	1490.0	1
Acetylcholinesterase CHEMBL220	IC50	5.82	5.82	1500.0	1
Acetylcholinesterase CHEMBL4078	Ki	5.64	5.64	2280.0	1
CDK6/cyclin D1 CHEMBL2111455	IC50	5.47	5.47	3400.0	1
Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600	IC50	4.7	4.7	20000.0	1
Cholinesterase CHEMBL5763	Ki	4.31	4.31	48490.0	1
Cholinesterase CHEMBL1914	IC50	4.05	4.05	90000.0	1
Cholinesterase CHEMBL5763	IC50	4.04	4.04	90470.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NFF	IC50	=	339.0	nM	6.47	Cytotoxicity against human NFF cells after 72 hrs by Alamar Blue assay	24973030
Cyclin-dependent kinase 4/cyclin D1	IC50	=	350.0	nM	6.46	Inhibition of CDK4/cyclin-D1 (unknown origin)	-
LNCaP	IC50	=	540.0	nM	6.27	Cytotoxicity against human LNCAP cells after 72 hrs by Alamar Blue assay	24973030
Acetylcholinesterase	IC50	=	1490.0	nM	5.83	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as su...	-
Acetylcholinesterase	IC50	=	1500.0	nM	5.82	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate ...	33528252
Acetylcholinesterase	Ki	=	2280.0	nM	5.64	Non-competitive inhibition of Electrophorus electricus AChE using acetylthiochol...	-
CDK6/cyclin D1	IC50	=	3400.0	nM	5.47	Inhibition of CDK6/cyclin-D1 (unknown origin)	-
Cyclin-dependent kinase 5/CDK5 activator 1	IC50	=	20000.0	nM	4.7	Inhibition of CDK5/p-35 (unknown origin)	-
Cholinesterase	Ki	=	48490.0	nM	4.31	Non-competitive inhibition of equine serum BuChE using S-butyrylthiocholine iodi...	-
Cholinesterase	IC50	=	90000.0	nM	4.05	Inhibition of BuChE (unknown origin) using acetylthiocholine iodide as substrate...	33528252
Cholinesterase	IC50	=	90470.0	nM	4.04	Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate ...	-

PubMed	DOI	Target Context	# Activities
23398362	10.1042/bj20121418	Insulin-like growth factor 1 receptor	4
23398362	10.1042/bj20121418	Insulin receptor	4
23398362	10.1042/bj20121418	Cyclin-dependent kinase 5/CDK5 activator 1	4
23398362	10.1042/bj20121418	Protein kinase C beta type	4
23398362	10.1042/bj20121418	Serine/threonine-protein kinase mTOR	4
23398362	10.1042/bj20121418	Tyrosine-protein kinase Lck	4
23398362	10.1042/bj20121418	cGMP-dependent protein kinase 1	4
23398362	10.1042/bj20121418	Tyrosine-protein kinase HCK	4
-	10.1039/C2MD20076G	Acetylcholinesterase	3
38552428	10.1016/j.ejmech.2024.116347	Staphylococcus aureus	3
23398362	10.1042/bj20121418	Ephrin type-A receptor 5	2
23398362	10.1042/bj20121418	Serine/threonine-protein kinase 4	2
23398362	10.1042/bj20121418	Tyrosine-protein kinase Fyn	2
23398362	10.1042/bj20121418	Fibroblast growth factor receptor 3	2
23398362	10.1042/bj20121418	Death-associated protein kinase 1	2
23398362	10.1042/bj20121418	Calcium/calmodulin-dependent protein kinase type 1D	2
23398362	10.1042/bj20121418	Casein kinase I isoform gamma-3	2
23398362	10.1042/bj20121418	Cyclin-dependent kinase 2/cyclin A	2
23398362	10.1042/bj20121418	Serine/threonine-protein kinase Nek7	2
23398362	10.1042/bj20121418	SRSF protein kinase 3	2

Data from ChEMBL 36 via Core Engine