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Compound Detail

CHEMBL345046

TETRAPHENYLPORPHYRIN
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C1=Cc2nc1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1

Basic Information

ChEMBL ID CHEMBL345046
Name TETRAPHENYLPORPHYRIN
Phase Preclinical
Structure Type MOL
InChI Key AQPPOLXYUQPDOD-LWQDQPMZSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

614.8
MW (Da)
11.32
ALogP
2
HBA
2
HBD
57.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H30N4
MW 614.75
Aromatic Rings 7
Heavy Atoms 48
NP-Likeness 0.01

Activity Summary

IC50 4 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ScN2a
CHEMBL613872
IC50 8.0 8.0 10.0 1
Unchecked
CHEMBL612545
IC50 6.5 6.5 320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-007-9007-x NON-PROTEIN TARGET 3
23639546 10.1016/j.bmcl.2013.03.126 A549 2
11741471 10.1021/jm010246u Telomerase reverse transcriptase 1
16987659 10.1016/j.bmcl.2006.08.115 ScN2a 1
16987659 10.1016/j.bmcl.2006.08.115 Unchecked 1
19233650 10.1016/j.bmcl.2009.02.005 Bel-7402 1
19233650 10.1016/j.bmcl.2009.02.005 MCF7 1
- 10.1007/s00044-007-9007-x No relevant target 1
23245573 10.1016/j.bmc.2012.11.032 Colon 26 1

Data from ChEMBL 36 via Core Engine