Drug Information

Drug General Information
Drug ID
D07ACF
Former ID
DNC000153
Drug Name
Actinomycin D
Drug Type
Small molecular drug
Indication Discovery agent Investigative [537796]
Structure
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2D MOL

3D MOL
Formula
C62H86N12O16
Canonical SMILES
CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C<br />)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4<br />)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C<br />(C)C)C)C)C(C)C)C)N)C
InChI
1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42+,43+,44-,45-,48-,49-/m1/s1
InChIKey
RJURFGZVJUQBHK-ZXDIMXNISA-N
CAS Number
CAS 50-76-0
PubChem Compound ID
6713178
PubChem Substance ID
11447246, 43332629, 75117941, 114949108, 124633807, 124633941
ChEBI ID
ChEBI:27666
SuperDrug ATC ID
L01DA01
SuperDrug CAS ID
cas=000050760
Target and Pathway
Target(s) DNA Target Info Intercalator [535170]
DNA polymerase Target Info Inhibitor [537796]
References
Ref 537796Selective binding of actinomycin D and distamycin A to DNA. Nucleic Acids Res. 1982 Nov 25;10(22):7273-82.
Ref 535170Crystallographic analysis of a novel complex of actinomycin D bound to the DNA decamer CGATCGATCG. Biochemistry. 2001 May 15;40(19):5587-92.
Ref 537796Selective binding of actinomycin D and distamycin A to DNA. Nucleic Acids Res. 1982 Nov 25;10(22):7273-82.

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