TEMOPORFIN

Search structure


Synonyms:	EF-9 EF9 Foscan Mthpc Temoporfin
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	PubMed PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Unclassified protein	22	1100	-	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Nasopharyngeal Neoplasms	2	D009303	ClinicalTrials
Bile Duct Neoplasms	2	D001650	ClinicalTrials
Carcinoma, Squamous Cell	2	D002294	ClinicalTrials
Head and Neck Neoplasms	2	D006258	ClinicalTrials
Klatskin Tumor	2	D018285	ClinicalTrials
Carcinoma	1	D002277	ClinicalTrials
Carcinoma, Non-Small-Cell Lung	1	D002289	ClinicalTrials

Cross References

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

CONTENTS