Compound Detail

CHEMBL4299338

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CNNCCC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CO)C(=O)N[C@H](CC(=O)O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(N)=O)C(N)=O)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4299338
Phase	Preclinical
Structure Type	MOL
InChI Key	MMIAIVDYGLHKLA-IDBPWIJJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

2381.7

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C102H173N37O29
MW	2381.74

Activity Summary

IC50 1 meas. best 5.08

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Lysine-specific histone demethylase 1A CHEMBL6136	IC50	5.08	5.08	8400.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Lysine-specific histone demethylase 1A	IC50	=	8400.0	nM	5.08	Inhibition of full length N-terminal His-tagged human recombinant LSD1 (1 to 852...	26700437

Literature References

PubMed	DOI	Target Context	# Activities
26700437	10.1021/acs.jmedchem.5b01323	Lysine-specific histone demethylase 1A	2
26700437	10.1021/acs.jmedchem.5b01323	Lysine-specific demethylase 5A	1
26700437	10.1021/acs.jmedchem.5b01323	Amine oxidase [flavin-containing] B	1
26700437	10.1021/acs.jmedchem.5b01323	Amine oxidase [flavin-containing] A	1
26700437	10.1021/acs.jmedchem.5b01323	Lysine-specific histone demethylase 2	1

Data from ChEMBL 36 via Core Engine