| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 17 | Yes |
Popular Name: 3-Phenyl-isoquinolin-1-ylamine 3-Phenyl-isoquinolin-1-ylamine
Find On: PubMed — Wikipedia — Google
CAS Number: 23023-35-0
| 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) | 3.55 | 7.48 | -9.5 | 2 | 2 | 0 | 39 | 220.275 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80482-4-O | SK-MEL-2 (Melanoma Cells) (cluster #4 Of 4), Other | Other | 1480 | 0.48 | Functional ≤ 10μM |
| Z80493-3-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #3 Of 6), Other | Other | 2030 | 0.47 | Functional ≤ 10μM |
| Z80682-2-O | A549 (Lung Carcinoma Cells) (cluster #2 Of 11), Other | Other | 2730 | 0.46 | Functional ≤ 10μM |
| Z81335-1-O | HCT-15 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 1870 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 2730 | 0.46 | Functional ≤ 10μM |
| Z81335 | Z81335 | HCT-15 (Colon Adenocarcinoma Cells) | 1870 | 0.47 | Functional ≤ 10μM |
| Z80482 | Z80482 | SK-MEL-2 (Melanoma Cells) | 1480 | 0.48 | Functional ≤ 10μM |
| Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 2030 | 0.47 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.