Compound Detail
CHEMBL1325592
PROTOPORPHYRIN Enter ChEMBL ID:
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C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C
Basic Information
| ChEMBL ID | CHEMBL1325592 |
| Name | PROTOPORPHYRIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSFOVUSSGSKXFI-UJJXFSCMSA-N |
6
Targets
10
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names
Molecular Properties
562.7
MW (Da)
7.50
ALogP
4
HBA
4
HBD
132.0
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 6 meas. best 6.51
EC50 4 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bel-7402 CHEMBL614279 | IC50 | 6.51 | 6.51 | 309.6 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.66 | 5.66 | 2170.0 | 1 |
| GroEL/GroES CHEMBL4106139 | IC50 | 5.52 | 5.44 | 3000.0 | 2 |
| HSP60/HSP10 CHEMBL4106131 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.05 | 5.05 | 8887.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 5.0 | 5.0 | 9949.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bel-7402 | IC50 | = | 309.6 | nM | 6.51 | Antiproliferative activity against human Bel7402 cells assessed as reduction in ... | 30925340 |
| Human immunodeficiency virus 1 | EC50 | = | 2170.0 | nM | 5.66 | Inhibition of HIV-1 P24 production. | 8164251 |
| GroEL/GroES | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Esch... | 30852084 |
| GroEL/GroES | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Esche... | 30852084 |
| HSP60/HSP10 | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia co... | 30852084 |
| Zinc finger protein mex-5 | EC50 | = | 8887.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 9949.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9951-3 | NON-PROTEIN TARGET | 10 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | Unchecked | 5 |
| - | 10.1007/s00044-011-9951-3 | HeLa | 5 |
| 24156291 | 10.1021/np4005807 | Salmonella typhimurium | 5 |
| - | 10.1007/s00044-011-9951-3 | Bacillus subtilis | 4 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | GroEL/GroES | 4 |
| - | 10.1007/s00044-011-9951-3 | Pseudomonas aeruginosa | 3 |
| 1527792 | 10.1021/jm00096a020 | Human immunodeficiency virus type 1 protease | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 27234890 | 10.1016/j.bmc.2016.05.015 | No relevant target | 2 |
| - | 10.1007/s00044-011-9951-3 | Escherichia coli | 2 |
| 8164251 | 10.1021/jm00034a007 | Human immunodeficiency virus 1 | 2 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 37075092 | 10.1021/acs.jmedchem.2c01992 | MCF7 | 1 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | Thiosulfate sulfurtransferase | 1 |
| 1527792 | 10.1021/jm00096a020 | NON-PROTEIN TARGET | 1 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | HSP60/HSP10 | 1 |
Data from ChEMBL 36 via Core Engine