| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 16 | Yes |
Popular Name: 3-(phenylamino)benzoic acid 3-(phenylamino)benzoic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 6025-56-5
| 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) | 3.82 | 7.37 | -48.84 | 1 | 3 | -1 | 52 | 212.228 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 129 - 131 | Enamine Building Blocks |
| MP | 129...131 | Enamine Building Blocks |
| MP | 138 - 140 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AK1C3-1-E | Aldo-keto-reductase Family 1 Member C3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 940 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AK1C3_HUMAN | P42330 | Aldo-keto-reductase Family 1 Member C3, Human | 940 | 0.53 | Binding ≤ 1μM |
| AK1C3_HUMAN | P42330 | Aldo-keto-reductase Family 1 Member C3, Human | 940 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Retinoid metabolism and transport | |
| Synthesis of bile acids and bile salts via 24-hydroxycholesterol | |
| Synthesis of bile acids and bile salts via 27-hydroxycholesterol | |
| Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
