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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 of APICIDIN

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

Targets

Primary TargetPharmacologyConditionPotency
15.8 nM [IC50]
665.1 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:16:21 GMT 2023
Edited
by admin
on Sat Dec 16 08:16:21 GMT 2023
Record UNII
ND0S9TY2E8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APICIDIN
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40274182
Created by admin on Sat Dec 16 08:16:21 GMT 2023 , Edited by admin on Sat Dec 16 08:16:21 GMT 2023
PRIMARY
PUBCHEM
124933487
Created by admin on Sat Dec 16 08:16:21 GMT 2023 , Edited by admin on Sat Dec 16 08:16:21 GMT 2023
PRIMARY
CAS
183506-66-3
Created by admin on Sat Dec 16 08:16:21 GMT 2023 , Edited by admin on Sat Dec 16 08:16:21 GMT 2023
PRIMARY
WIKIPEDIA
Apicidin
Created by admin on Sat Dec 16 08:16:21 GMT 2023 , Edited by admin on Sat Dec 16 08:16:21 GMT 2023
PRIMARY
FDA UNII
ND0S9TY2E8
Created by admin on Sat Dec 16 08:16:21 GMT 2023 , Edited by admin on Sat Dec 16 08:16:21 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR