TEMOPORFIN

Search structure
Synonyms:
EF9
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01XD05
UNII: FU21S769PF

Structure
InChI Key KSXLETNRCMCRAQ-LWQDQPMZSA-N
Smile Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc2CC4)C=C3)c1
InChI
InChI=1S/C44H32N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(51)23-27/h1-17,19,21-24,45-46,49-52H,18,20H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-

Physicochemical Descriptors

Property Name Value
Molecular Formula C44H32N4O4
Molecular Weight 680.76
AlogP 9.76
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 4.0
Polar Surface Area 138.28
Molecular species NEUTRAL
Aromatic Rings 7.0
Heavy Atoms 52.0

Pharmacology

Action Mechanism of Action Reference
None Photosensitizer
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 30.74
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 2.63-36.91
Unclassified protein
22 1100 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Squamous Cell 4 D002294 ClinicalTrials
Head and Neck Neoplasms 4 D006258 ClinicalTrials
Bile Duct Neoplasms 2 D001650 ClinicalTrials
Nasopharyngeal Carcinoma 2 D000077274 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Carcinoma 1 D002277 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 122341-38-2
ChEMBL CHEMBL383675
FDA SRS FU21S769PF
CONTENTS