(6S,9S,12S,15S,18S)-18-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[6-(hydroxyamino)-6-oxohexyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-9,15-bis(3-carbamimidamidopropyl)-3,21-dimethyl-12-(2-methylpropyl)-8,11,14,17-tetraoxo-3,21-dithionia-7,10,13,16-tetrazabicyclo[21.3.1]heptacosa-1(26),23(27),24-triene-6-carboxamide

InChIKey	`XOGHJUCCVHBUTL-FEQPZUQFSA-P`
Compound Name	(6S,9S,12S,15S,18S)-18-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[6-(hydroxyamino)-6-oxohexyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-9,15-bis(3-carbamimidamidopropyl)-3,21-dimethyl-12-(2-methylpropyl)-8,11,14,17-tetraoxo-3,21-dithionia-7,10,13,16-tetrazabicyclo[21.3.1]heptacosa-1(26),23(27),24-triene-6-carboxamide
Canonical SMILES	`CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC[S+](C)Cc2cccc(c2)C[S+](C)CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCCC(=O)NO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	11
Pfam Stratification	Homologous
Avg pChEMBL	6.51
Source	ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
O15379	HDAC3	Homo sapiens	Human	PF00850	6.5	IC50	ChEMBL
P56524	HDAC4	Homo sapiens	Human	PF12203 PF00850	6.5	IC50	ChEMBL
Q13547	HDAC1	Homo sapiens	Human	PF00850	6.5	IC50	ChEMBL
Q8WUI4	HDAC7	Homo sapiens	Human	PF00850	6.5	IC50	ChEMBL
Q92769	HDAC2	Homo sapiens	Human	PF00850	6.5	IC50	ChEMBL
Q969S8	HDAC10	Homo sapiens	Human	PF00850	6.5	IC50	ChEMBL
Q96DB2	HDAC11	Homo sapiens	Human	PF00850	6.5	IC50	ChEMBL
Q9BY41	HDAC8	Homo sapiens	Human	PF00850	6.5	IC50	ChEMBL
Q9UBN7	HDAC6	Homo sapiens	Human	PF00850 PF02148	6.5	IC50	ChEMBL
Q9UKV0	HDAC9	Homo sapiens	Human	PF12203 PF00850	6.5	IC50	ChEMBL
Q9UQL6	HDAC5	Homo sapiens	Human	PF12203 PF00850	6.5	IC50	ChEMBL