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Compound Detail

CHEMBL427342

IMIDOCARB
🧪 Phase II
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🧪 Phase II
O=C(Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL427342
Name IMIDOCARB
Phase Phase II
Structure Type MOL
InChI Key SCEVFJUWLLRELN-UHFFFAOYSA-N

Known Names

Imidocarb Imidocarbe Imidocarbo Imizol MMV665810 TCMDC-124304
5
Targets
11
Activities
2
Assay Types
0
PK Parameters
20
Publications
6
Known Names

Molecular Properties

348.4
MW (Da)
2.03
ALogP
5
HBA
4
HBD
89.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1970

Extended Properties

Molecular Formula C19H20N6O
MW 348.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.91

Activity Summary

IC50 9 meas. best 7.28
EC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.28 6.826 52.0 5
Trypanosoma brucei rhodesiense
CHEMBL612348
 IC50 6.58 6.58 264.9 1
Plasmodium falciparum
CHEMBL364
 IC50 6.48 6.48 332.2 1
Acetylcholinesterase
CHEMBL220
 IC50 6.23 6.23 590.0 1
Plasmodium falciparum
CHEMBL364
 EC50 6.0 5.93 1010.0 2
Trypanosoma brucei brucei
CHEMBL612851
 IC50 4.71 4.71 19566.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 52.0 nM 7.28 MMV: Anti-babesial activity assay. Parasite pRBCs at 1% parasitemia were cultiva... -
Unchecked IC50 = 59.0 nM 7.23 MMV: Anti-babesial activity assay. Parasite pRBCs at 1% parasitemia were cultiva... -
Unchecked IC50 = 81.0 nM 7.09 MMV: Anti-babesial activity assay. Parasite pRBCs at 1% parasitemia were cultiva... -
Trypanosoma brucei rhodesiense IC50 = 264.87 nM 6.58 MMV: Inhibition of Trypanosoma brucei rhodesiense (STIB 900) (HAT in vitro). -
Plasmodium falciparum IC50 = 332.2 nM 6.48 MMV: IC50 determined against P. falciparum Dd2-luc strain using a Malaria Sybr G... -
Unchecked IC50 = 500.0 nM 6.3 MMV: Anti-babesial activity assay. Parasite pRBCs at 1% parasitemia were cultiva... -
Unchecked IC50 = 590.0 nM 6.23 Inhibitory activity towards acetylcholine esterase (AChE) 15369385
Acetylcholinesterase IC50 = 590.0 nM 6.23 Inhibition of AChE 20053484
Plasmodium falciparum EC50 = 1010.0 nM 6.0 MMV: Inhibition of Plasmodium falciparum 3D7 (EC50). -
Plasmodium falciparum EC50 = 1380.0 nM 5.86 MMV: Inhibition of Plasmodium falciparum K1 (EC50). -
Trypanosoma brucei brucei IC50 = 19566.62 nM 4.71 MMV: Inhibition of Trypanosoma brucei brucei (Squib 427) (HAT in vitro). -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301486 Unchecked 8
19015348 10.1128/aac.00670-08 Unchecked 8
- 10.6019/CHEMBL3301472 Human immunodeficiency virus 1 7
- 10.6019/CHEMBL3301472 NON-PROTEIN TARGET 6
20485427 10.1038/nature09107 Plasmodium falciparum 4
- 10.6019/CHEMBL3137381 Onchocerca lienalis 4
- 10.6019/CHEMBL3301464 Unchecked 4
- 10.6019/CHEMBL2028040 Plasmodium falciparum 3
- 10.6019/CHEMBL3301546 Saccharomyces cerevisiae 3
- 10.6019/CHEMBL2363022 Schistosoma mansoni 3
19015348 10.1128/aac.00670-08 HeLa 3
- 10.6019/CHEMBL3433997 Solute carrier family 2, facilitated glucose transporter member 1 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL2094260 Mycobacterium tuberculosis 2
- 10.6019/CHEMBL3433997 Glucose transporter 2
- 10.6019/CHEMBL3433997 Hexose transporter 1 2
- 10.6019/CHEMBL3301458 Voltage-gated inwardly rectifying potassium channel KCNH2 2
- 10.6019/CHEMBL3301451 Plasmodium falciparum 2
15369385 10.1021/jm030605g Unchecked 1
- 10.6019/CHEMBL2028040 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine