Compound Detail
CHEMBL1085699
MANIDIPINE 6300 🧪 Phase III
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🧪 Phase III
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL1085699 |
| Name | MANIDIPINE 6300 |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | ANEBWFXPVPTEET-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
1
PK Parameters
20
Publications
5
Known Names
2
Indications
1
Mechanisms
Molecular Properties
610.7
MW (Da)
4.95
ALogP
9
HBA
1
HBD
114.2
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Voltage-gated L-type calcium channel blocker | BLOCKER | Voltage-gated L-type calcium channel | ✓ | ✓ |
Indications
Cardiovascular Diseases Hypertension
ATC Classification
C08CA11
manidipine
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CALCIUM CHANNEL BLOCKERS
Activity Summary
IC50 5 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.51 | 2000.0 | 2 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 5.34 | 5.335 | 4600.0 | 2 |
| Cruzipain CHEMBL3563 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 93.4 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of porcine heart malate dehydrogenase preincubated for 5 min followed... | 34812616 |
| ATP-dependent translocase ABCB1 | IC50 | = | 4600.0 | nM | 5.34 | TP_TRANSPORTER: inhibition of Daunorubicin transepithelial transport (basal to a... | 11145223 |
| ATP-dependent translocase ABCB1 | IC50 | = | 4650.0 | nM | 5.33 | TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical... | 12128170 |
| Unchecked | IC50 | = | 4810.0 | nM | 5.32 | Inhibition of recombinant His6-tagged SARS-CoV-2 main protease using Dabcyl-KTSA... | 33324471 |
| Cruzipain | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrat... | 20426472 |
Literature References
Data from ChEMBL 36 via Core Engine