Compound Detail

CHEMBL505512

TAUTOMYCIN

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CO[C@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL505512
Name	TAUTOMYCIN
Phase	Preclinical
Structure Type	MOL
InChI Key	RFCWHQNNCOJYTR-IRCAEPKSSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

767.0

MW (Da)

4.79

ALogP

HBA

HBD

192.2

PSA (Å²)

0.11

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C41H66O13
MW	766.97
Aromatic Rings	0
Heavy Atoms	54
NP-Likeness	1.76

Activity Summary

IC50 15 meas. best 10.42

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	10.42	7.8956	0.0	9
Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335	IC50	9.17	9.17	0.7	1
Serine-threonine protein phosphatase 2A regulatory subunit CHEMBL2669	IC50	9.15	8.575	0.7	2
Serine/threonine-protein phosphatase 5 CHEMBL3425389	IC50	8.0	8.0	10.0	1
Serine/threonine-protein phosphatase 2A activator CHEMBL2505	IC50	5.03	5.03	9400.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	0.038	nM	10.42	Inhibition of rabbit skeletal muscle PP1 using [3H]-phosphohistone as substrate	34156850
Unchecked	IC50	=	0.4	nM	9.4	Inhibition of PP4 (unknown origin)	34156850
Tyrosine-protein phosphatase non-receptor type 1	IC50	=	0.67	nM	9.17	Observed inhibition activity of the compounds against protein phosphatases 1 (PP...	9379439
Unchecked	IC50	=	0.7	nM	9.15	Exogenous inhibition of Serine/threonine protein phosphatase 1 (PP1)	11881984
Serine-threonine protein phosphatase 2A regulatory subunit	IC50	=	0.7	nM	9.15	Exogenous inhibition concentration of Serine/threonine protein phosphatase 2A (P...	11881984
Unchecked	IC50	=	5.3	nM	8.28	Inhibition of PP2A (unknown origin) using [3H]-phosphohistone as substrate by li...	34156850
Serine-threonine protein phosphatase 2A regulatory subunit	IC50	=	10.0	nM	8.0	Observed inhibition activity of the compounds against protein phosphatases 2A (P...	9379439
Serine/threonine-protein phosphatase 5	IC50	=	10.0	nM	8.0	Inhibition of PP5 (unknown origin)	34156850
Unchecked	IC50	=	22.0	nM	7.66	Inhibition of PP1	19191560
Unchecked	IC50	=	22.0	nM	7.66	Inhibition of PP2A	19191560
Unchecked	IC50	=	190.0	nM	6.72	Inhibition of protein phosphatase 1 (PP1) was determined by standard phosphoryla...	12699764
Unchecked	IC50	=	900.0	nM	6.05	Inhibition of protein phosphatase 2A (PP2A) was determined by standard phosphory...	12699764
Unchecked	IC50	=	1900.0	nM	5.72	Inhibition of protein phosphatase 1 (PP1) was determined by standard phosphoryla...	12699763
Serine/threonine-protein phosphatase 2A activator	IC50	=	9400.0	nM	5.03	Inhibition of protein phosphatase 2A (PP2A) was determined by standard phosphory...	12699763

Literature References

PubMed	DOI	Target Context	# Activities
34156850	10.1021/acs.jmedchem.1c00631	Unchecked	4
11881984	10.1021/jm010066k	Unchecked	3
12699763	10.1016/s0960-894x(03)00105-7	Unchecked	2
12699764	10.1016/s0960-894x(03)00106-9	Unchecked	2
19191560	10.1021/np8007478	Unchecked	2
9379439	10.1021/jm960873x	Serine-threonine protein phosphatase 2A regulatory subunit	1
9379439	10.1021/jm960873x	Tyrosine-protein phosphatase non-receptor type 1	1
11881984	10.1021/jm010066k	Serine-threonine protein phosphatase 2A regulatory subunit	1
12699763	10.1016/s0960-894x(03)00105-7	Serine/threonine-protein phosphatase 2A activator	1
34156850	10.1021/acs.jmedchem.1c00631	Serine/threonine-protein phosphatase 5	1

Data from ChEMBL 36 via Core Engine