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Compound Detail

CHEMBL319111

LINOPIRDINE
🧪 Phase II
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🧪 Phase II
O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL319111
Name LINOPIRDINE
Phase Phase II
Structure Type MOL
InChI Key YEJCDKJIEMIWRQ-UHFFFAOYSA-N

Known Names

DUP 996 DUP-996 Linopirdina Linopirdine
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
12
Publications
4
Known Names
1
Indications

Molecular Properties

391.5
MW (Da)
4.88
ALogP
3
HBA
0
HBD
46.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -pirdine
USAN Year 1992

Extended Properties

Molecular Formula C26H21N3O
MW 391.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.35

Indications

Attention Deficit Disorder with Hyperactivity

ATC Classification

N06BX09
linopirdine
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOANALEPTICS

Activity Summary

IC50 6 meas. best 5.1
EC50 1 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 EC50 5.35 5.35 4500.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.1 4.9833 7943.3 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus EC50 = 4500.0 nM 5.35 Compound was tested in vitro for its ability to enhance the K+-stimulated releas... 9804701
Plasmodium falciparum IC50 = 7943.28 nM 5.1 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910

Literature References

PubMed DOI Target Context # Activities
19734910 10.1038/nchembio.215 Plasmodium falciparum 6
9804701 10.1021/jm9803424 Rattus norvegicus 5
- 10.6019/CHEMBL3301361 ADMET 3
- 10.1016/S0960-894X(00)80543-0 Rattus norvegicus 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
8411006 10.1021/jm00072a009 Rattus norvegicus 1
8411006 10.1021/jm00072a009 No relevant target 1
17417631 10.1038/nchembio873 Unchecked 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine