Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL24057

FURAMIDINE
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1

Basic Information

ChEMBL ID CHEMBL24057
Name FURAMIDINE
Phase Preclinical
Structure Type MOL
InChI Key ZJHZBDRZEZEDGB-UHFFFAOYSA-N

Known Names

DB-75 DB75 Furamidine NSC-305831
19
Targets
101
Activities
2
Assay Types
3
PK Parameters
20
Publications
4
Known Names

Molecular Properties

304.4
MW (Da)
3.18
ALogP
3
HBA
4
HBD
112.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Achiral
USAN Stem -amidine

Extended Properties

Molecular Formula C18H16N4O
MW 304.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.10

Activity Summary

IC50 97 meas. best 9.3
Kd 4 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 9.3 7.6117 0.5 23
Trypanosoma cruzi
CHEMBL368
IC50 8.57 6.2617 2.7 6
Leishmania donovani
CHEMBL367
IC50 8.55 6.5633 2.8 3
Trypanosoma brucei rhodesiense
CHEMBL612348
IC50 8.52 8.0881 3.0 21
Mus musculus
CHEMBL375
IC50 8.35 8.35 4.5 1
L6
CHEMBL614793
IC50 8.19 5.3729 6.4 14
Trypanosoma brucei brucei
CHEMBL612851
IC50 8.15 6.425 7.0 2
Ribosyldihydronicotinamide dehydrogenase [quinone]
CHEMBL3959
IC50 7.46 7.46 35.0 1
Unchecked
CHEMBL612545
Kd 7.0 6.7175 100.0 4
Giardia intestinalis
CHEMBL612652
IC50 6.7 6.7 200.0 1
Protein arginine N-methyltransferase 1
CHEMBL5524
IC50 6.51 5.3125 310.0 4
Tyrosyl-DNA phosphodiesterase 1
CHEMBL1075138
IC50 6.0 5.4617 1000.0 6
Leishmania sp.
CHEMBL612241
IC50 5.55 5.55 2800.0 1
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.37 5.25 4230.0 2
Molecular identity unknown
CHEMBL612546
IC50 5.19 5.19 6400.0 1
B16
CHEMBL381
IC50 5.04 5.04 9200.0 1
A2780
CHEMBL614004
IC50 4.81 4.575 15500.0 2
SK-OV-3
CHEMBL614925
IC50 4.37 4.37 42500.0 1
CH1
CHEMBL614455
IC50 4.33 4.33 46500.0 1

Pharmacokinetic Data

Parameter Value Units Species
Cmax 8.0 nM Mus musculus
F 0.2 % Mus musculus
T1/2 107.0 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 0.5 nM 9.3 Antimalarial activity against Plasmodium falciparum 3D7 asexual cultures grown u... 29567345
Trypanosoma cruzi IC50 = 2.7 nM 8.57 Antitrypanosomal activity against wild type Trypanosoma cruzi BS221 infected in ... 17698622
Leishmania donovani IC50 = 2.8 nM 8.55 Antiparasitic activity against Leishmania donovani 17178177
Trypanosoma brucei rhodesiense IC50 = 3.0 nM 8.52 Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 after 72 h... 23795673
Trypanosoma brucei rhodesiense IC50 = 3.0 nM 8.52 Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 assesse... 24268543
Trypanosoma brucei rhodesiense IC50 = 3.0 nM 8.52 Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 after 7... 23871911
Trypanosoma brucei rhodesiense IC50 = 3.2 nM 8.49 Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 after 7... 17517831
Trypanosoma brucei rhodesiense IC50 = 3.2 nM 8.49 Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 19409677
Trypanosoma brucei rhodesiense IC50 = 3.2 nM 8.49 Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 20403703
Trypanosoma brucei rhodesiense IC50 = 4.3 nM 8.37 Antitrypanosomal activity against Trypanosoma brucei rhodesiense 17439202
Trypanosoma brucei rhodesiense IC50 = 4.3 nM 8.37 Antiprotozoan activity against Trypanosoma brucei rhodesiense STIB900 17976993
Trypanosoma brucei rhodesiense IC50 = 4.3 nM 8.37 Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 17178177
Trypanosoma brucei rhodesiense IC50 = 4.3 nM 8.37 In vitro antiprotozoal activity against Trypanosoma brucei rhodesiense strain ST... 16107146
Trypanosoma brucei rhodesiense IC50 = 4.5 nM 8.35 Antiprotozoal activity against long slender blood stream form Trypanosoma brucei... 36958267
Trypanosoma brucei rhodesiense IC50 = 4.5 nM 8.35 Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 measure... 34146914
Trypanosoma brucei rhodesiense IC50 = 4.5 nM 8.35 Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 19699098
Trypanosoma brucei rhodesiense IC50 = 4.5 nM 8.35 Antitrypanosomal activity against bloodstream form of Trypanosoma brucei rhodesi... 28038325
Trypanosoma brucei rhodesiense IC50 = 4.5 nM 8.35 Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 assesse... 24012380
Trypanosoma brucei rhodesiense IC50 = 4.5 nM 8.35 Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 21421317
Trypanosoma brucei rhodesiense IC50 = 4.5 nM 8.35 In vitro inhibitory activity against T. b. rhodesiense 14561095

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00557-4 Rattus norvegicus 14
336890 10.1021/jm00219a023 Trypanosoma brucei rhodesiense 9
18086841 10.1128/aac.00642-07 Trypanosoma brucei brucei 9
19620327 10.1128/aac.00225-09 Trypanosoma brucei rhodesiense 7
19786604 10.1128/aac.00422-09 Trypanosoma evansi 6
24564570 10.1021/jm401884z Protein arginine N-methyltransferase 1 6
19620327 10.1128/aac.00225-09 Trypanosoma brucei brucei 6
16913722 10.1021/jm060470p Mus musculus 4
9748362 10.1021/jm980230c ADMET 4
9748362 10.1021/jm980230c Rattus norvegicus 4
19620327 10.1128/aac.00225-09 Trypanosoma brucei gambiense 4
26117647 10.1016/j.bmc.2015.06.012 Glutamate NMDA receptor 4
20457822 10.1128/aac.01617-09 Trypanosoma cruzi 4
17439202 10.1021/jm0612867 NON-PROTEIN TARGET 4
28649316 10.1039/C6MD00573J Protein arginine N-methyltransferase 1 4
9438029 10.1021/jm970570i Rattus norvegicus 3
9438029 10.1021/jm970570i ADMET 3
17517831 10.1128/aac.00005-07 Trypanosoma brucei brucei 3
18086841 10.1128/aac.00642-07 ADMET 3
21194955 10.1016/j.bmc.2010.11.047 Trypanosoma brucei rhodesiense 3

Data from ChEMBL 36 via Core Engine