| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 34 | Yes |
Popular Name: CCR3 Antagonist CCR3 Antagonist
Find On: PubMed — Wikipedia — Google
CAS Number: 275812-32-3
| 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) | 5.40 | 14.84 | -55.42 | 3 | 6 | 1 | 76 | 487.665 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1415 | 0.24 | Binding ≤ 10μM |
| 5HT2C-2-E | Serotonin 2c (5-HT2c) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1000 | 0.25 | Binding ≤ 10μM |
| CCR1-1-E | C-C Chemokine Receptor Type 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.21 | Binding ≤ 10μM |
| CCR2-1-E | C-C Chemokine Receptor Type 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.21 | Binding ≤ 10μM |
| CCR3-1-E | C-C Chemokine Receptor Type 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.33 | Binding ≤ 10μM |
| CCR5-1-E | C-C Chemokine Receptor Type 5 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1000 | 0.25 | Binding ≤ 10μM |
| CXCR1-1-E | Interleukin-8 Receptor A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.21 | Binding ≤ 10μM |
| CXCR2-1-E | Interleukin-8 Receptor B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.21 | Binding ≤ 10μM |
| Q9WTR4-1-E | Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 611 | 0.26 | Binding ≤ 10μM |
| SC6A2-2-E | Norepinephrine Transporter (cluster #2 Of 2), Eukaryotic | Eukaryotes | 611 | 0.26 | Binding ≤ 10μM |
| SC6A3-1-E | Dopamine Transporter (cluster #1 Of 3), Eukaryotic | Eukaryotes | 718 | 0.25 | Binding ≤ 10μM |
| SC6A4-1-E | Serotonin Transporter (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2350 | 0.23 | Binding ≤ 10μM |
| CCR3-1-E | C-C Chemokine Receptor Type 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10 | 0.33 | Functional ≤ 10μM |
| CP2D6-1-E | Cytochrome P450 2D6 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 240 | 0.27 | ADME/T ≤ 10μM |
| DRD2-17-E | Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic | Eukaryotes | 321 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR3_MOUSE | P51678 | C-C Chemokine Receptor Type 3, Mouse | 1000 | 0.25 | Binding ≤ 1μM |
| CCR3_HUMAN | P51677 | C-C Chemokine Receptor Type 3, Human | 0.5 | 0.38 | Binding ≤ 1μM |
| CCR3_RAT | O54814 | C-C Chemokine Receptor Type 3, Rat | 0.1 | 0.41 | Binding ≤ 1μM |
| CCR5_HUMAN | P51681 | C-C Chemokine Receptor Type 5, Human | 1000 | 0.25 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 321 | 0.27 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 321 | 0.27 | Binding ≤ 1μM |
| SC6A3_BOVIN | P27922 | Dopamine Transporter, Bovin | 718 | 0.25 | Binding ≤ 1μM |
| SC6A3_HUMAN | Q01959 | Dopamine Transporter, Human | 718 | 0.25 | Binding ≤ 1μM |
| SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 611 | 0.26 | Binding ≤ 1μM |
| Q9WTR4_RAT | Q9WTR4 | Norepinephrine Transporter, Rat | 611 | 0.26 | Binding ≤ 1μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 1000 | 0.25 | Binding ≤ 1μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 1000 | 0.25 | Binding ≤ 1μM |
| CCR1_HUMAN | P32246 | C-C Chemokine Receptor Type 1, Human | 10000 | 0.21 | Binding ≤ 10μM |
| CCR2_HUMAN | P41597 | C-C Chemokine Receptor Type 2, Human | 10000 | 0.21 | Binding ≤ 10μM |
| CCR3_MOUSE | P51678 | C-C Chemokine Receptor Type 3, Mouse | 1000 | 0.25 | Binding ≤ 10μM |
| CCR3_HUMAN | P51677 | C-C Chemokine Receptor Type 3, Human | 0.5 | 0.38 | Binding ≤ 10μM |
| CCR3_RAT | O54814 | C-C Chemokine Receptor Type 3, Rat | 0.1 | 0.41 | Binding ≤ 10μM |
| CCR5_HUMAN | P51681 | C-C Chemokine Receptor Type 5, Human | 1000 | 0.25 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 321 | 0.27 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 321 | 0.27 | Binding ≤ 10μM |
| SC6A3_BOVIN | P27922 | Dopamine Transporter, Bovin | 718 | 0.25 | Binding ≤ 10μM |
| SC6A3_HUMAN | Q01959 | Dopamine Transporter, Human | 718 | 0.25 | Binding ≤ 10μM |
| CXCR1_HUMAN | P25024 | Interleukin-8 Receptor A, Human | 10000 | 0.21 | Binding ≤ 10μM |
| CXCR2_HUMAN | P25025 | Interleukin-8 Receptor B, Human | 10000 | 0.21 | Binding ≤ 10μM |
| SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 611 | 0.26 | Binding ≤ 10μM |
| Q9WTR4_RAT | Q9WTR4 | Norepinephrine Transporter, Rat | 611 | 0.26 | Binding ≤ 10μM |
| 5HT2A_BOVIN | Q75Z89 | Serotonin 2a (5-HT2a) Receptor, Bovin | 1415 | 0.24 | Binding ≤ 10μM |
| 5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 1415 | 0.24 | Binding ≤ 10μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 1000 | 0.25 | Binding ≤ 10μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 1000 | 0.25 | Binding ≤ 10μM |
| SC6A4_MOUSE | Q60857 | Serotonin Transporter, Mouse | 2350 | 0.23 | Binding ≤ 10μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 2350 | 0.23 | Binding ≤ 10μM |
| CCR3_MOUSE | P51678 | C-C Chemokine Receptor Type 3, Mouse | 10 | 0.33 | Functional ≤ 10μM |
| CCR3_HUMAN | P51677 | C-C Chemokine Receptor Type 3, Human | 0.1 | 0.41 | Functional ≤ 10μM |
| CP2D6_HUMAN | P10635 | Cytochrome P450 2D6, Human | 240 | 0.27 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Beta defensins | |
| Binding and entry of HIV virion | |
| Chemokine receptors bind chemokines | |
| CYP2E1 reactions | |
| Dopamine clearance from the synaptic cleft | |
| Dopamine receptors | |
| Fatty acids | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Miscellaneous substrates | |
| Na+/Cl- dependent neurotransmitter transporters | |
| Serotonin receptors | |
| Xenobiotics |
No pre-computed analogs available. Try a structural similarity search.