DACTINOMYCIN (BRD-K70578146)
Overview
- pert_id
- BRD-K70578146
- Name
- dactinomycin
- Collection
- BIOA
- MOA
- RNA polymerase inhibitor
- Target(s)
- POLR2A
- Indication(s)
- testicular carcinoma, Wilm's tumor, rhabdomyosarcoma, Ewing's sarcoma, gestational trophoblastic disease (GTD)
- Phase
- Launched
- Canonical SMILES
- CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O
- InChI key
- InChIKey=RJURFGZVJUQBHK-IIXSONLDSA-N
- InChI string
- 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
- Molecular formula
- C62H86N12O16
- Molecular weight
- 1255.42
External links
- PubChem
- 457193
- Wikipedia
- http://en.wikipedia.org/wiki/Actinomycin
- SEP-L1000
- BRD-K70578146
Predicted MOAs
| MOA | Probability |
|---|---|
| CDK inhibitor | 0.5425 |
| topoisomerase inhibitor | 0.3516 |
| PI3K inhibitor | 0.0131 |
| HSP inhibitor | 0.0095 |
| protein synthesis inhibitor | 0.0089 |
| adrenergic receptor antagonist | 0.0086 |
| cyclooxygenase inhibitor | 0.0077 |
| RAF inhibitor | 0.0065 |
| mTOR inhibitor | 0.0064 |
| calcium channel blocker | 0.0054 |
Chemical structure
