Drug Information

General Information
Drug ID
DR01203
Drug Name
Dactinomycin
Synonyms
1H-Pyrrolo(2,1-1)-(1,4,7,10,13)oxatetraazacyclohexadecine; 4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide; ACT D; ACTINOMYCIN D AMP; AD (VAN); Actactinomycin A IV; Actinomycin 11 cosmegen; Actinomycin 7; Actinomycin A IV; Actinomycin Aiv; Actinomycin C (sub1); Actinomycin C(sub1); Actinomycin C1; Actinomycin D (JP15); Actinomycin D deriv. of 3H-phenoxaocardazine; Actinomycin D, sodium deoxyribonucleic acid complex; Actinomycin I; Actinomycin I (sub1); Actinomycin I(sub 1); Actinomycin I(sub1); Actinomycin I1; Actinomycin IV; Actinomycin X 1; Actinomycin X1; Actinomycin cl; Actinomycin x i; Actinomycin-(threo-val-pro-sar-meval); Actinomycin-IV; Actinomycin-[threo-val-pro-sar-meval]; Actinomycindioic D acid, dilactone; Actinomyein-theo-val-pro-sar-meval; Acto-D; Antibiotic from Streptomyces parvullus; COSMEGEN (TN); Chounghwamycin B; Cosmegen; D Actinomycin; DVA-DPR-SAR-MVA-(c1)DTH-PXZ-(c11)DTH-DVA-DPR-SAR-MVA; Dactinomicina; Dactinomicina [INN-Spanish]; Dactinomycin (USP); Dactinomycin D; Dactinomycin [USAN:BAN]; Dactinomycine; Dactinomycine [INN-French]; Dactinomycinum; Dactinomycinum [INN-Latin]; Dactinomyein d; Dilactone actin omycindioic D acid; Dilactone actinomycin D acid; Dilactone actinomycindioic D acid; GNF-PF-1977; HBF 386; HBF 386 meractinomycin; Lyovac cosmegen; Meractinomycin; NP-005932; O)-(1-oxo-1,2-ethanediyl)]bis(N-methyl)L-valine; Oncostatin K; PXZ-THR-DVA-PRO-SAR-MVA-THR-DVA-PRO-SAR-MVA; X 97
Drug Type
Small molecular drug
Indication Cancer [ICD11:2A00-2F9Z] Approved [1]
Therapeutic Class
Anticancer Agents
Structure
3D MOL 2D MOL
Formula
C62H86N12O16
Canonical SMILES
CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C
InChI
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)
InChIKey
RJURFGZVJUQBHK-UHFFFAOYSA-N
CAS Number
CAS 50-76-0
Pharmaceutical Properties Molecular Weight 1255.4 Topological Polar Surface Area 356
Heavy Atom Count 90 Rotatable Bond Count 8
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 18
XLogP
3.8
PubChem CID
2019
PubChem SID
103185659 ,103934097 ,104299382 ,11120223 ,11120711 ,11121199 ,11147306 ,11434891 ,124766124 ,124886988 ,125537037 ,125767589 ,126687205 ,131332481 ,134337828 ,137156344 ,137545216 ,160964308 ,161005131 ,162022425 ,162022855 ,164787451 ,174007348 ,26752119 ,29221206 ,3141480 ,47216557 ,47515096 ,47588774 ,47959487 ,48034857 ,48034858 ,49854365 ,50114308 ,51071907 ,520465 ,5343980 ,565029 ,57321102 ,57392818 ,74382088 ,75117937 ,7847281 ,8136899 ,8151387 ,841047 ,85083371 ,85789491 ,8990 ,95152991
ChEBI ID
ChEBI:27666
TTD Drug ID
D0P8IV
DT(s) Transporting This Drug BCRP Transporter Info Breast cancer resistance protein Substrate [2]
MRP1 Transporter Info Multidrug resistance-associated protein 1 Substrate [3]
P-GP Transporter Info P-glycoprotein 1 Substrate [4]
References
1 Actinomycin D was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Breast cancer resistance protein (BCRP/ABCG2) induces cellular resistance to HIV-1 nucleoside reverse transcriptase inhibitors. Mol Pharmacol. 2003 Jan;63(1):65-72.
3 Expression of multidrug resistance-associated protein in NIH/3T3 cells confers multidrug resistance associated with increased drug efflux and altered intracellular drug distribution. Cancer Res. 1995 Nov 15;55(22):5342-7.
4 Potential role of drug transporters in the pathogenesis of medically intractable epilepsy. Epilepsia. 2005 Feb;46(2):224-35.

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