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Compound Detail

CHEMBL258940

FALNIDAMOL
🧪 Phase II
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🧪 Phase II
CN1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258940
Name FALNIDAMOL
Phase Phase II
Structure Type MOL
InChI Key FTFRZXFNZVCRSK-UHFFFAOYSA-N

Known Names

Bibx 1382 Bibx-1382 Bibx1382 Falnidamol
7
Targets
18
Activities
2
Assay Types
3
PK Parameters
20
Publications
4
Known Names
1
Indications
1
Mechanisms

Molecular Properties

387.9
MW (Da)
3.46
ALogP
7
HBA
2
HBD
78.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C18H19ClFN7
MW 387.85
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.86

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Epidermal growth factor receptor erbB1 inhibitor INHIBITOR Epidermal growth factor receptor ✓ ✓

Indications

Neoplasms

Activity Summary

EC50 10 meas. best 5.96
IC50 8 meas. best 9.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
KB
CHEMBL398
 IC50 9.82 8.02 0.1 3
Receptor tyrosine-protein kinase erbB-2
CHEMBL1824
 IC50 8.52 6.995 3.0 2
Epidermal growth factor receptor
CHEMBL203
 IC50 8.52 8.52 3.0 3
Ebolavirus
CHEMBL4434621
 EC50 5.96 5.91 1100.0 4
Marburgvirus
CHEMBL4296577
 EC50 5.75 5.75 1800.0 2
Lassa virus
CHEMBL615051
 EC50 5.5 5.3733 3200.0 3
Vesicular stomatitis virus
CHEMBL613739
 EC50 4.51 4.51 30900.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 25.0 mL.min-1.kg-1 Homo sapiens
CL 18.0 mL.min-1.kg-1 Homo sapiens
F 2.0 % Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
KB IC50 = 0.15 nM 9.82 Inhibition of EGF-mediated thymidine incorporation in human KB cells 18077363
KB IC50 = 1.82 nM 8.74 Inhibition of HGF-mediated thymidine incorporation in human KB cells 18077363
Epidermal growth factor receptor IC50 = 3.0 nM 8.52 Inhibition of ErbB1 18077363
Epidermal growth factor receptor IC50 = 3.0 nM 8.52 Inhibition of Her1 18077363
Receptor tyrosine-protein kinase erbB-2 IC50 = 3.0 nM 8.52 Inhibition of Her1 18077363
Epidermal growth factor receptor IC50 = 3.0 nM 8.52 Inhibition of EGFR (unknown origin) 33539089
Ebolavirus EC50 = 1100.0 nM 5.96 Antiviral activity against GFP-tagged EBOV 33539089
Ebolavirus EC50 = 1100.0 nM 5.96 Antiviral activity against EBOV infected in 1 hr pretreated human Huh-7 cells 33539089
Ebolavirus EC50 = 1200.0 nM 5.92 Antiviral activity against pseudo typed 1976 EBOV 33539089
Ebolavirus EC50 = 1600.0 nM 5.8 Antiviral activity against pseudo typed 2014 EBOV 33539089
Marburgvirus EC50 = 1800.0 nM 5.75 Antiviral activity against Marburg virus 33539089
Marburgvirus EC50 = 1800.0 nM 5.75 Antiviral activity against GFP-tagged MARV 33539089
Lassa virus EC50 = 3200.0 nM 5.5 Antiviral activity against LASV 33539089
Lassa virus EC50 = 3200.0 nM 5.5 Antiviral activity against LASV infected in 1 hr pretreated human A549 cells 33539089
KB IC50 = 3200.0 nM 5.5 Inhibition of FCS-mediated thymidine incorporation in human KB cells 18077363
Receptor tyrosine-protein kinase erbB-2 IC50 = 3400.0 nM 5.47 Inhibition of HER2 18077363
Lassa virus EC50 = 7500.0 nM 5.12 Antiviral activity against LASV assessed as inhibition of viral entry 33539089
Vesicular stomatitis virus EC50 = 30900.0 nM 4.51 Antiviral activity against VSV assessed as inhibition of viral entry 33539089

Literature References

PubMed DOI Target Context # Activities
22031625 10.1124/dmd.111.042861 Aldehyde oxidase 5
33539089 10.1021/acs.jmedchem.0c01467 Ebolavirus 4
18077363 10.1073/pnas.0708800104 KB 3
33539089 10.1021/acs.jmedchem.0c01467 Lassa virus 3
18077363 10.1073/pnas.0708800104 Epidermal growth factor receptor 2
18077363 10.1073/pnas.0708800104 Serine/threonine-protein kinase 26 2
18077363 10.1073/pnas.0708800104 Ribosomal protein S6 kinase alpha-3 2
33539089 10.1021/acs.jmedchem.0c01467 Marburgvirus 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
22031625 10.1124/dmd.111.042861 Homo sapiens 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
18077363 10.1073/pnas.0708800104 Receptor tyrosine-protein kinase erbB-2 2
18077363 10.1073/pnas.0708800104 Calcium/calmodulin-dependent protein kinase type II subunit delta 1
18077363 10.1073/pnas.0708800104 Calcium/calmodulin-dependent protein kinase type II subunit gamma 1
18077363 10.1073/pnas.0708800104 Calcium/calmodulin-dependent protein kinase type IV 1
18077363 10.1073/pnas.0708800104 Calcium/calmodulin-dependent protein kinase kinase 2 1
33539089 10.1021/acs.jmedchem.0c01467 Epidermal growth factor receptor 1
18077363 10.1073/pnas.0708800104 Calcium/calmodulin-dependent protein kinase type 1G 1
18077363 10.1073/pnas.0708800104 5'-AMP-activated protein kinase catalytic subunit alpha-2 1

Data from ChEMBL 36 via Core Engine