DACTINOMYCIN

Search structure
Trade Names:
Synonyms:
Status: Approved (1964)
Entry Type: Protein
Molecule Category: UNKNOWN
ATC: L01DA01
UNII: 1CC1JFE158

Structure
InChI Key RJURFGZVJUQBHK-IIXSONLDSA-N
Smile Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
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)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C62H86N12O16
Molecular Weight 1255.44
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Experimental and Estimated Properties

Property Name Value Unit Method
log P (octanol-water) -0.910 - EST
Atmospheric OH Rate Constant 2.83E-10 cm3/molecule-sec EST

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor PubMed FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - 88500 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- 9000 - - -
Enzyme Transferase
- - - - 7-100
Other cytosolic protein
- 5000 - - 40-51
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 58

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Wilms Tumor 4 D009396 ClinicalTrials
Rhabdomyosarcoma, Embryonal 3 D018233 ClinicalTrials
Lymphoma 3 D008223 ClinicalTrials
Sarcoma 3 D012509 ClinicalTrials
Rhabdomyosarcoma, Alveolar 3 D018232 ClinicalTrials
Leukemia 3 D007938 ClinicalTrials
Rhabdomyosarcoma 3 D012208 ClinicalTrials
Gestational Trophoblastic Disease 3 D031901 ClinicalTrials
Choroid Plexus Neoplasms 3 D016545 ClinicalTrials
Sarcoma, Ewing 3 D012512 ClinicalTrials
Choriocarcinoma 3 D002822 ClinicalTrials
Hydatidiform Mole 3 D006828 ClinicalTrials
Mesenchymoma 3 D008637 ClinicalTrials
Brain Neoplasms 3 D001932 ClinicalTrials
Kidney Neoplasms 3 D007680 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Central Nervous System Neoplasms 2 D016543 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Blood and lymphatic system disorders
13.52
General disorders and administration site conditions
11.45
Injury, poisoning and procedural complications
9.59
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
8.76
Gastrointestinal disorders
7.03
Vascular disorders
6.0
Nervous system disorders
5.03
Investigations
4.9
Respiratory, thoracic and mediastinal disorders
4.69
Infections and infestations
3.52
Hepatobiliary disorders
3.17
Renal and urinary disorders
3.1
Metabolism and nutrition disorders
2.9
Skin and subcutaneous tissue disorders
2.14
Reproductive system and breast disorders
2.07

Cross References

Resources Reference
CAS NUMBER 50-76-0
ChEBI 27666
ChEMBL CHEMBL1554
DrugBank DB00970
DrugCentral 774
EPA CompTox DTXSID9020031
FDA SRS 1CC1JFE158
Human Metabolome Database HMDB0015105
PubChem 457193
SureChEMBL SCHEMBL3844
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