APICIDIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H49N5O6
Molecular Weight	623.7828
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCCCN1C(=O)[C@@H](NC(=O)[C@H](CC3=CN(OC)C4=C3C=CC=C4)NC(=O)[C@H](CCCCCC(=O)CC)NC2=O)[C@@H](C)CC

InChI

InChIKey=JWOGUUIOCYMBPV-CYPKUTQSSA-N

InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C34H49N5O6
Molecular Weight	623.7828
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Histone deacetylase 3 35 Target ID: CHEMBL1829 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18430569	Inhibitor 8228		15.8 nM [IC50]
Histone deacetylase 6 27 Target ID: CHEMBL1865 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18430569	Inhibitor 8228		665.1 nM [IC50]

Substance Class	Chemical Created by `admin` on `Thu Jul 06 13:42:01 UTC 2023` Edited by `admin` on `Thu Jul 06 13:42:01 UTC 2023`
Record UNII	ND0S9TY2E8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APICIDIN

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40274182