Standard InChI: InChI=1S/C38H12Br4N4O8S2/c39-15-5-13-7-21(35(51)53-29(13)23(41)9-15)25-11-55-37(43-25)45-31(47)17-1-2-18-28-20(4-3-19(27(17)28)33(45)49)34(50)46(32(18)48)38-44-26(12-56-38)22-8-14-6-16(40)10-24(42)30(14)54-36(22)52/h1-12H
Standard InChI Key: WQFCIHOOYOCXOG-UHFFFAOYSA-N
Associated Targets(non-human)
Calf thymus DNA 4845 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Staphylococcus aureus 210822 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Staphylococcus epidermidis 22802 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Escherichia coli 133304 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Pseudomonas aeruginosa 123386 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type:
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
Drug Indications
MESH ID
MESH Heading
EFO IDs
EFO Terms
Max Phase for Indication
References
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Properties
Molecular Weight: 1036.28
Molecular Weight (Monoisotopic): 1031.6830
AlogP:
#Rotatable Bonds:
Polar Surface Area:
Molecular Species:
HBA:
HBD:
#RO5 Violations:
HBA (Lipinski):
HBD (Lipinski):
#RO5 Violations (Lipinski):
CX Acidic pKa:
CX Basic pKa:
CX LogP:
CX LogD:
Aromatic Rings:
Heavy Atoms:
QED Weighted:
Np Likeness Score:
References
1.Tomczyk MD, Walczak KZ.. (2018) l,8-Naphthalimide based DNA intercalators and anticancer agents. A systematic review from 2007 to 2017., 159 [PMID:30312931][10.1016/j.ejmech.2018.09.055]
