Compound Detail

CHEMBL5174535

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CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)C(=O)NCC(=O)CF

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5174535
Phase	Preclinical
Structure Type	MOL
InChI Key	TZRLLCDNKOSPGK-BTRGJUCVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1099.3

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C50H83FN18O9
MW	1099.33

Activity Summary

IC50 3 meas. best 6.3

Ki 1 meas. best 9.2

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	9.2	9.2	0.6	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	IC50	6.3	6.1067	500.0	3

Pharmacokinetic Data

Parameter	Value	Units	Species
T1/2	2.5	hr	Homo sapiens
T1/2	2.52	hr	Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
cAMP-dependent protein kinase catalytic subunit alpha	Ki	=	0.63	nM	9.2	Covalent inhibition of human recombinant PKAC-alpha assessed as inhibition const...	35960538
cAMP-dependent protein kinase catalytic subunit alpha	IC50	=	500.0	nM	6.3	Inhibition of ARC-1063 fluorescent probe binding to recombinant human PKAC-alpha...	35960538
cAMP-dependent protein kinase catalytic subunit alpha	IC50	=	800.0	nM	6.1	Irreversible inhibition of ARC-1063 fluorescent probe binding to recombinant hum...	35960538
cAMP-dependent protein kinase catalytic subunit alpha	IC50	=	1200.0	nM	5.92	Inhibition of ARC-1063 fluorescent probe binding to recombinant human PKAC-alpha...	35960538

Literature References

PubMed	DOI	Target Context	# Activities
35960538	10.1021/acs.jmedchem.2c00067	cAMP-dependent protein kinase catalytic subunit alpha	10

Data from ChEMBL 36 via Core Engine