SOBLIDOTIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: DQC51A0WQH

Structure
InChI Key DZMVCVHATYROOS-ZBFGKEHZSA-N
Smile CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NCCc1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C
InChI
InChI=1S/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28+,30-,31+,33-,34-,35-,36+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C39H67N5O6
Molecular Weight 701.99
AlogP 3.99
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 20.0
Polar Surface Area 120.52
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 50.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sarcoma 2 D012509 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 149606-27-9
ChEBI 32135
ChEMBL CHEMBL3989512
DrugBank DB12677
FDA SRS DQC51A0WQH
PubChem 6918315
SureChEMBL SCHEMBL4966327
ZINC ZINC000003951627
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