In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 22nd, 2006 | 32 | Yes |
Popular Name: Norverapamil Norverapamil
Find On: PubMed — Wikipedia — Google
CAS Numbers: 123931-31-7 , 67018-85-3 , [67018-85-3]
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) | 3.96 | 10.65 | -62.79 | 2 | 6 | 1 | 77 | 441.592 | 13 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0250267A2; EP0250267B1; EP0285906A2; EP0285906B1; EP0479874B1; EP0591389B1; EP0679887A2; EP0679887A3; EP0768895A1; US4863742; US4935445; US5160744; US5190765; US5252338; US5585070; US5598933; US5603160; US5658800; US5786344; US5859279; US6096339; US6146 | IBM Patent Data |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
MDR1-1-E | P-glycoprotein 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4240 | 0.24 | Binding ≤ 10μM |
CP3A4-2-E | Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 5890 | 0.23 | ADME/T ≤ 10μM |
CP3A5-1-E | Cytochrome P450 3A5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4530 | 0.23 | ADME/T ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
MDR1_HUMAN | P08183 | P-glycoprotein 1, Human | 4240 | 0.24 | Binding ≤ 10μM |
CP3A4_HUMAN | P08684 | Cytochrome P450 3A4, Human | 2110 | 0.25 | ADME/T ≤ 10μM |
CP3A5_HUMAN | P20815 | Cytochrome P450 3A5, Human | 4530 | 0.23 | ADME/T ≤ 10μM |
Description | Species |
---|---|
Abacavir transmembrane transport | |
ABC-family proteins mediated transport | |
Aflatoxin activation and detoxification | |
Xenobiotics |