Drug Information

Drug General Information
Drug ID
D05JRA
Former ID
DNC014806
Drug Name
ARC-1028
Indication Discovery agent Investigative [529919]
Structure
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2D MOL

3D MOL
Formula
C64H118N34O13
Canonical SMILES
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)NCCCCCC(=O)NC(CCC<br />CN)C(=O)NCCCCCC(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=<br />O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C<br />(=O)NC(CCCN=C(N)N)C(=O)N)O)O
InChI
1S/C64H118N34O13/c65-24-6-5-15-36(91-42(99)22-4-2-8-26-81-57(110)47-45(101)46(102)58(111-47)98-34-90-44-48(66)88-33-89-50(44)98)51(104)80-25-7-1-3-23-43(100)92-37(17-10-28-83-60(70)71)52(105)94-39(19-12-30-85-62(74)75)54(107)96-41(21-14-32-87-64(78)79)56(109)97-40(20-13-31-86-63(76)77)55(108)95-38(18-11-29-84-61(72)73)53(106)93-35(49(67)103)16-9-27-82-59(68)69/h33-41,45-47,58,101-102H,1-32,65H2,(H2,67,103)(H,80,104)(H,81,110)(H,91,99)(H,92,100)(H,93,106)(H,94,105)(H,95,108)(H,96,107)(H,97,109)(H2,66,88,89)(H4,68,69,82)(H4,70,71,83)(H4,72,73,84)(H4,74,75,85)(H4,76,77,86)(H4,78,79,87)/t35-,36-,37-,38-,39-,40-,41-,45+,46-,47+,58-/m1/s1
InChIKey
FBAPHDWTBAGCKW-LJDCWIOTSA-N
PubChem Compound ID
25190769
Target and Pathway
Target(s) CGMP-dependent protein kinase Target Info Inhibitor [529919]
References
Ref 529919J Med Chem. 2009 Jan 22;52(2):308-21.Structural analysis of ARC-type inhibitor (ARC-1034) binding to protein kinase A catalytic subunit and rational design of bisubstrate analogue inhibitors of basophilic protein kinases.
Ref 529919J Med Chem. 2009 Jan 22;52(2):308-21.Structural analysis of ARC-type inhibitor (ARC-1034) binding to protein kinase A catalytic subunit and rational design of bisubstrate analogue inhibitors of basophilic protein kinases.

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