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Compound Detail

CHEMBL1237146

IODOPHENPROPIT HYDROBROMIDE
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Br.Br.N=C(NCCc1ccc(I)cc1)SCCCc1c[nH]cn1

Basic Information

ChEMBL ID CHEMBL1237146
Name IODOPHENPROPIT HYDROBROMIDE
Phase Preclinical
Structure Type MOL
InChI Key BOSOGNBLIWPCMS-UHFFFAOYSA-N
Parent Compound CHEMBL498770
Active Moiety CHEMBL498770
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

414.3
MW (Da)
3.24
ALogP
3
HBA
2
HBD
67.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21Br2IN4S
MW 576.14
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.00

Activity Summary

Ki 2 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
Ki 8.1 8.1 7.9 1
Histamine H4 receptor
CHEMBL3759
Ki 7.8 7.8 15.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19414267 10.1016/j.bmc.2009.04.007 Histamine H4 receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
19414267 10.1016/j.bmc.2009.04.007 Histamine H3 receptor 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine