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Compound Detail

CHEMBL250270

LERCANIDIPINE
🧪 Phase III
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🧪 Phase III
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1

Basic Information

ChEMBL ID CHEMBL250270
Name LERCANIDIPINE
Phase Phase III
Structure Type MOL
InChI Key ZDXUKAKRHYTAKV-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Lercanidipine Lercanidipino Lercanil
6
Targets
9
Activities
1
Assay Types
1
PK Parameters
20
Publications
3
Known Names
3
Indications

Molecular Properties

611.7
MW (Da)
6.48
ALogP
8
HBA
1
HBD
111.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product
USAN Stem -dipine; -pine
USAN Year 2002

Extended Properties

Molecular Formula C36H41N3O6
MW 611.74
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness -0.70

Indications

Cardiovascular Diseases Hypertension Essential Hypertension

ATC Classification

C08CA13
lercanidipine
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CALCIUM CHANNEL BLOCKERS

Activity Summary

IC50 9 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.66 5.225 2200.0 2
Trypanosoma cruzi
CHEMBL368
IC50 5.07 5.07 8430.0 1
Leishmania chagasi
CHEMBL612790
IC50 4.99 4.855 10360.0 2
Leishmania braziliensis
CHEMBL612878
IC50 4.99 4.99 10330.0 1
Leishmania major
CHEMBL612879
IC50 4.94 4.94 11550.0 1
Leishmania amazonensis
CHEMBL612877
IC50 4.77 4.77 16950.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 124.6 mL.min-1.g-1 Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34812616 10.1021/acs.jmedchem.1c01547 Unchecked 4
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
20934347 10.1016/j.bmc.2010.09.015 Leishmania chagasi 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Voltage-dependent L-type calcium channel subunit alpha-1C 2
33324471 10.1021/acsmedchemlett.0c00521 Unchecked 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
20934347 10.1016/j.bmc.2010.09.015 Unchecked 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
- 10.1007/s00044-012-9977-1 Whole blood 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
20934347 10.1016/j.bmc.2010.09.015 Trypanosoma cruzi 1
20934347 10.1016/j.bmc.2010.09.015 Leishmania braziliensis 1

Data from ChEMBL 36 via Core Engine