| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 44 | No |
Popular Name: BRACO19 BRACO19
9-[4-(N,N-dimethylamino)phenylamino]-3,6-bis (3-pyrrolodino-propionamido) acridine; BRACO-19; C20202
9-[4-(N,N-dimethylamino)phenylamino]-3,6-bis(3-pyrrolodinopropionamido) acridine
N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide)
| 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) | 5.51 | 14.97 | -138.1 | 6 | 9 | 3 | 96 | 596.8 | 11 | ↓ |
| Hi High (pH 8-9.5) | 5.51 | 14.61 | -93.93 | 5 | 9 | 2 | 95 | 595.792 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TERT-1-E | Telomerase Reverse Transcriptase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 90 | 0.22 | Binding ≤ 10μM |
| TERT-1-E | Telomerase Reverse Transcriptase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 113 | 0.22 | Functional ≤ 10μM |
| Z50587-4-O | Homo Sapiens (cluster #4 Of 9), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z80125-1-O | DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other | Other | 2300 | 0.18 | Functional ≤ 10μM |
| Z80166-4-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #4 Of 12), Other | Other | 2700 | 0.18 | Functional ≤ 10μM |
| Z80224-5-O | MCF7 (Breast Carcinoma Cells) (cluster #5 Of 14), Other | Other | 2530 | 0.18 | Functional ≤ 10μM |
| Z80682-2-O | A549 (Lung Carcinoma Cells) (cluster #2 Of 11), Other | Other | 2420 | 0.18 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TERT_HUMAN | O14746 | Telomerase Reverse Transcriptase, Human | 100 | 0.22 | Binding ≤ 1μM |
| TERT_HUMAN | O14746 | Telomerase Reverse Transcriptase, Human | 100 | 0.22 | Binding ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 2400 | 0.18 | Functional ≤ 10μM |
| Z80125 | Z80125 | DU-145 (Prostate Carcinoma) | 2300 | 0.18 | Functional ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 0.1 | 0.32 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 2700 | 0.18 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 2200 | 0.18 | Functional ≤ 10μM |
| TERT_HUMAN | O14746 | Telomerase Reverse Transcriptase, Human | 113 | 0.22 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| formation of the beta-catenin:TCF transactivating complex | |
| Telomere Extension By Telomerase |
No pre-computed analogs available. Try a structural similarity search.