| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2006 | 27 | Yes |
Popular Name: 10-HYDROXYCAMPTOTHECIN 10-HYDROXYCAMPTOTHECIN
Find On: PubMed — Wikipedia — Google
CAS Numbers: 130194-92-2 , 64439-81-2 , 67656-30-8 , [64439-81-2]
(4S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
10-Hydroxycamptothecin acetate
| 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) | 2.06 | 3.97 | -12.98 | 2 | 7 | 0 | 102 | 364.357 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 4.75 | -41.09 | 1 | 7 | -1 | 104 | 363.349 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0137145A1; EP0436653A1; EP0555347A1; EP0565621A1; EP0565621B1; EP0646117A1; EP0847397A1; EP0963988A2; EP1020468A2; EP1020468A3; EP1037610A1; US4604463; US4981968; US5162532; US5191082; US5200524; US5212317; US5243050; US5247089; US5258516; US5264579; US | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TOP1-1-E | DNA Topoisomerase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 900 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TOP1_HUMAN | P11387 | DNA Topoisomerase I, Human | 870 | 0.31 | Binding ≤ 1μM |
| TOP1_HUMAN | P11387 | DNA Topoisomerase I, Human | 870 | 0.31 | Binding ≤ 10μM |
