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Compound Detail

CHEMBL1257030

LONIDAMINE
🧪 Phase III
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🧪 Phase III
O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12

Basic Information

ChEMBL ID CHEMBL1257030
Name LONIDAMINE
Phase Phase III
Structure Type MOL
InChI Key WDRYRZXSPDWGEB-UHFFFAOYSA-N

Known Names

Doridamina Lonidamina Lonidamine NSC-741419 NSC-758419
4
Targets
12
Activities
2
Assay Types
0
PK Parameters
20
Publications
5
Known Names
2
Indications

Molecular Properties

321.2
MW (Da)
4.09
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C15H10Cl2N2O2
MW 321.16
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.65

Indications

Neoplasms Prostatic Hyperplasia

ATC Classification

L01XX07
lonidamine
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 11 meas. best 5.13
Ki 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 5.6 5.6 2500.0 1
Leucine aminopeptidase
CHEMBL1293313
IC50 5.13 5.13 7370.0 1
Leishmania donovani
CHEMBL367
IC50 5.06 5.06 8660.0 1
HGC-27
CHEMBL1075463
IC50 4.11 4.11 77620.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
37376788 10.1021/acs.jmedchem.3c00118 4T1 5
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
37468498 10.1038/s41467-023-40064-9 Histamine H1 receptor 3
- 10.6019/CHEMBL3392926 Leishmania donovani 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
37468498 10.1038/s41467-023-40064-9 Peroxisome proliferator-activated receptor gamma 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
- 10.6019/CHEMBL3392926 NON-PROTEIN TARGET 2
18321702 10.1016/j.bmcl.2008.02.046 No relevant target 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
23994868 10.1016/j.ejmech.2013.07.025 Unchecked 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2

Data from ChEMBL 36 via Core Engine