BEMOTRIZINOL

Search structure


Synonyms:	BEMT FAT 70'884 FAT-70884 NSC-759870 TINOSORB S
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	PWZ1720CBH

Structure


InChI Key	XVAMCHGMPYWHNL-UHFFFAOYSA-N
Smile	CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OCC(CC)CCCC)cc3O)n2)c(O)c1
InChI	InChI=1S/C38H49N3O5/c1-6-10-12-26(8-3)24-45-30-18-20-32(34(42)22-30)37-39-36(28-14-16-29(44-5)17-15-28)40-38(41-37)33-21-19-31(23-35(33)43)46-25-27(9-4)13-11-7-2/h14-23,26-27,42-43H,6-13,24-25H2,1-5H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C38H49N3O5
Molecular Weight	627.83
AlogP	9.48
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	18.0
Polar Surface Area	106.82
Molecular species	ACID
Aromatic Rings	4.0
Heavy Atoms	46.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Transferase	-	-	-	-	11.48
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb	-	-	-	-	-28.83--4.22

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Sunburn	2	D013471	ClinicalTrials

Related Entries

Scaffolds

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend network:

Indication

Mechanism of Action

Primary Target

Target Level

Cross References

Resources	Reference
ChEBI	135857
ChEMBL	CHEMBL2104956
DrugBank	DB11206
DrugCentral	3014
EPA CompTox	DTXSID40896984
FDA SRS	PWZ1720CBH
PubChem	135487856
SureChEMBL	SCHEMBL77320

CONTENTS