P-276-00

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

Structure
InChI Key HRTOUPQLDWWXIX-UHFFFAOYSA-N
Smile CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)C1CO
InChI
InChI=1S/C21H21NO5/c1-22-8-7-13(14(22)11-23)19-15(24)9-16(25)20-17(26)10-18(27-21(19)20)12-5-3-2-4-6-12/h2-6,9-10,13-14,23-25H,7-8,11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H21NO5
Molecular Weight 367.4
AlogP 2.65
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 94.14
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Melanoma 2 D008545 ClinicalTrials
Lymphoma, Mantle-Cell 2 D020522 ClinicalTrials
Head and Neck Neoplasms 2 D006258 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2312181
SureChEMBL SCHEMBL1180418
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