| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2008 | 45 | No |
Popular Name: MANIDIPINE HYDROCHLORIDE MANIDIPINE HYDROCHLORIDE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 120092-68-4 , 89226-75-5
120092-68-4; Artedil (TN); D08155; Manidipine (INN); Manidipine 6300
89226-75-5; Calslot (TN); D01553; Manidipine dihydrochloride; Manidipine hydrochloride (JP16)
Manidipine 6300 (INN); Manidipine HCl (JAN)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 5.92 | 17.7 | -43.27 | 1 | 10 | 0 | 124 | 610.711 | 11 | ↓ |
| Mid Mid (pH 6-8) | 6.67 | 18.37 | -45.36 | 2 | 10 | 1 | 118 | 611.719 | 12 | ↓ |
| Mid Mid (pH 6-8) | 6.67 | 16.67 | -18.95 | 1 | 10 | 0 | 117 | 610.711 | 12 | ↓ |
| Mid Mid (pH 6-8) | 5.92 | 15.44 | -33.31 | 0 | 10 | -1 | 123 | 609.703 | 11 | ↓ |
| Mid Mid (pH 6-8) | 5.92 | 17.13 | -46.07 | 1 | 10 | 0 | 124 | 610.711 | 11 | ↓ |
| Mid Mid (pH 6-8) | 6.67 | 19.03 | -53.42 | 2 | 10 | 1 | 118 | 611.719 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| therap | antihypertensive | MicroSource US Drugs |
| biological_use | Antihypertensive agent | IBScreen Bioactives |
| mechanism | Calcium antagonist | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1C-1-E | Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.25 | Binding ≤ 10μM |
| CAC1D-1-E | Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9 | 0.25 | Binding ≤ 10μM |
| CYSP-1-E | Cruzipain (cluster #1 Of 4), Eukaryotic | Eukaryotes | 6000 | 0.16 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1C_RAT | P22002 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Rat | 8.68 | 0.25 | Binding ≤ 1μM |
| CAC1D_RAT | P27732 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Rat | 8.68 | 0.25 | Binding ≤ 1μM |
| CYSP_TRYCR | P25779 | Cruzipain, Trycr | 6000 | 0.16 | Binding ≤ 10μM |
| CAC1C_RAT | P22002 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Rat | 8.68 | 0.25 | Binding ≤ 10μM |
| CAC1D_RAT | P27732 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Rat | 8.68 | 0.25 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.