Common name
ethyl 4-aminobenzoate
IUPAC name
ethyl 4-aminobenzoate
SMILES
Nc1ccc(cc1)C(=O)OCC
Common name
ethyl 4-aminobenzoate
IUPAC name
ethyl 4-aminobenzoate
SMILES
Nc1ccc(cc1)C(=O)OCC
INCHI
InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
FORMULA
C9H11NO2
Common name
ethyl 4-aminobenzoate
IUPAC name
ethyl 4-aminobenzoate
Molecular weight
165.189
clogP
1.309
clogS
-1.905
Frequency
0.0017
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00585 | Procaine |
|
Anesthetics, Local; Anesthetics; Ophthalmologicals; Sensory Organs; Nervous System; Cardiovascular System; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Esters of Aminobenzoic Acid; Antiemetics Antagonists; | Used as a local anesthetic primarily in oral surgery. |
| FDBD00751 | Oxybuprocaine |
|
Anesthetics, Local; Ophthalmologicals; Sensory Organs; Dermatologicals; Local Anesthetics; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; | Used to temporarily numb the front surface of the eye so that the eye pressure can be measured or a foreign body removed. |
| FDBD01668 | Tetracaine |
|
Anesthetics, Local; Anesthetics; Ophthalmologicals; Sensory Organs; Dermatologicals; Nervous System; Cardiovascular System; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Esters of Aminobenzoic Acid; | |
| FDBD01802 | Procaine benzylpenicillin |
|
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antibacterials for Intramammary Use; Beta-Lactam Antibacterials, Penicillins; Beta-Lactam Antibacterials, Penicillins, for Intramammary Use; Beta-Lactamase Sensitive Penicillins; | For the treatment of a number of bacterial infections. |
| FDBD01816 | Propoxycaine |
|
Anesthetics, Local; |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2amt_ligand_2_44.mol2 | 2amt | 0.847826 | -6.84 | CCOC(=O)c1ccccc1N | 12 |
| 4l0i_ligand_1_0.mol2 | 4l0i | 0.804878 | -6.89 | c1(ccccc1)C(=O)OCC | 11 |
| 2amt_ligand_1_9.mol2 | 2amt | 0.8 | -6.62 | COC(=O)c1ccccc1N | 11 |
| 1dzm_ligand.mol2 | 1dzm | 0.785714 | -8.40 | C(OC(=O)c1ccccc1)c1ccccc1 | 17 |
| 5avi_ligand_1_5.mol2 | 5avi | 0.785714 | -8.01 | C(C)(C)(C)OC(=O)c1ccccc1 | 13 |
| 4tte_ligand_frag_1.mol2 | 4tte | 0.782609 | -6.05 | c1cc(cc(c1)N)C(=O)OC | 11 |
| 4y5d_ligand_frag_1.mol2 | 4y5d | 0.731707 | -7.04 | O=C(OC)c1ccccc1 | 10 |
324 ,
33
