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Compound Detail

CHEMBL14047

PHENYLGUANIDINE
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N=C(N)Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL14047
Name PHENYLGUANIDINE
Phase Preclinical
Structure Type MOL
InChI Key QRJZGVVKGFIGLI-UHFFFAOYSA-N
6
Targets
14
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

135.2
MW (Da)
0.99
ALogP
1
HBA
3
HBD
61.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H9N3
MW 135.17
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -0.65

Activity Summary

Ki 8 meas. best 5.63
IC50 6 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serotonin 3 (5-HT3) receptor
CHEMBL2094132
Ki 5.63 5.63 2340.0 2
Urokinase-type plasminogen activator
CHEMBL3286
IC50 4.7 4.7 20000.0 1
Urokinase-type plasminogen activator
CHEMBL3286
Ki 4.69 4.69 20600.0 2
Solute carrier family 22 member 1
CHEMBL5685
IC50 4.39 4.39 41100.0 1
Amine oxidase [copper-containing] 3
CHEMBL4592
IC50 4.11 4.11 78000.0 1
Solute carrier family 22 member 2
CHEMBL1743122
IC50 4.05 4.05 89000.0 1
Solute carrier family 22 member 3
CHEMBL2073673
IC50 4.0 4.0 99800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28811134 10.1016/j.bmcl.2017.08.008 Unchecked 2
2231595 10.1021/jm00173a008 Urokinase-type plasminogen activator 2
2231595 10.1021/jm00173a008 Serine protease 1 2
23664164 10.1016/j.bmc.2013.04.011 Amine oxidase [copper-containing] 3 2
2231595 10.1021/jm00173a008 Tissue-type plasminogen activator 1
37478556 10.1016/j.ejmech.2023.115636 Coagulation factor XII 1
26575094 10.1021/acs.jmedchem.5b01171 Plasminogen 1
26575094 10.1021/acs.jmedchem.5b01171 Coagulation factor X 1
26575094 10.1021/acs.jmedchem.5b01171 Tissue-type plasminogen activator 1
26575094 10.1021/acs.jmedchem.5b01171 Prothrombin 1
26575094 10.1021/acs.jmedchem.5b01171 Coagulation factor VII 1
19643610 10.1016/j.bmcl.2009.07.012 No relevant target 1
2231595 10.1021/jm00173a008 Plasma kallikrein 1
8831767 10.1021/jm9603936 Serotonin 3 (5-HT3) receptor 1
2231595 10.1021/jm00173a008 Prothrombin 1
2231595 10.1021/jm00173a008 Plasminogen 1
11720863 10.1016/s0960-894x(01)00644-8 No relevant target 1
11052791 10.1021/jm0002228 No relevant target 1
11052791 10.1021/jm0002228 Urokinase-type plasminogen activator 1
11412989 10.1016/s0960-894x(01)00291-8 Serotonin 3 (5-HT3) receptor 1

Data from ChEMBL 36 via Core Engine