PEGAMOTECAN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ZY7ZTE7LFH

Structure
InChI Key DZNNFZGDBUXWMV-ZUWDIFAMSA-N
Smile CC[C@@]1(OC(=O)[C@H](C)NC(=O)COCCOCC(=O)N[C@@H](C)C(=O)O[C@]2(CC)C(=O)OCc3c2cc2n(c3=O)Cc3cc4ccccc4nc3-2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
InChI
InChI=1S/C52H48N6O14/c1-5-51(35-19-39-43-31(17-29-11-7-9-13-37(29)55-43)21-57(39)45(61)33(35)23-69-49(51)65)71-47(63)27(3)53-41(59)25-67-15-16-68-26-42(60)54-28(4)48(64)72-52(6-2)36-20-40-44-32(18-30-12-8-10-14-38(30)56-44)22-58(40)46(62)34(36)24-70-50(52)66/h7-14,17-20,27-28H,5-6,15-16,21-26H2,1-4H3,(H,53,59)(H,54,60)/t27-,28-,51-,52-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C52H48N6O14
Molecular Weight 980.98
AlogP 3.32
Hydrogen Bond Acceptor 18.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 15.0
Polar Surface Area 251.64
Molecular species NEUTRAL
Aromatic Rings 6.0
Heavy Atoms 72.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sarcoma 2 D012509 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 581079-18-7
ChEMBL CHEMBL3989476
EPA CompTox DTXSID70206835
FDA SRS ZY7ZTE7LFH
PubChem 11297617
ZINC ZINC000150340267
CONTENTS