TLC-388

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: D47234N30N

Structure
InChI Key JCCCLGDYMMTBPM-HXDHBHDHSA-N
Smile CC[C@@]1(OC(=O)C(C)ON=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1
InChI
InChI=1S/C39H30N8O15/c1-5-39(26-13-30-34-18(14-43(30)36(49)25(26)16-60-38(39)51)8-21-24(15-42(3)4)31(48)7-6-27(21)40-34)61-37(50)17(2)62-41-35-22-9-19(44(52)53)11-28(46(56)57)32(22)33-23(35)10-20(45(54)55)12-29(33)47(58)59/h6-13,17,48H,5,14-16H2,1-4H3/t17?,39-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C39H30N8O15
Molecular Weight 850.71
AlogP 4.87
Hydrogen Bond Acceptor 19.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 305.11
Molecular species BASE
Aromatic Rings 5.0
Heavy Atoms 62.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA topoisomerase I inhibitor PubMed Other Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594352
FDA SRS D47234N30N
PubChem 46871946
SureChEMBL SCHEMBL4547372
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