Common name
3-phenylpropan-1-amine
IUPAC name
3-phenylpropan-1-amine
SMILES
C(c1ccccc1)CCN
Common name
3-phenylpropan-1-amine
IUPAC name
3-phenylpropan-1-amine
SMILES
C(c1ccccc1)CCN
INCHI
InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
FORMULA
C9H13N
Common name
3-phenylpropan-1-amine
IUPAC name
3-phenylpropan-1-amine
Molecular weight
135.206
clogP
2.113
clogS
-2.463
Frequency
0.0052
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01148 | Spirapril |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; | Spirapril is an ACE inhibitor class drug used to treat hypertension. |
| FDBD01266 | Alverine |
|
Parasympatholytics; Antispasmodics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; | Used to relieve cramps or spasms of the stomach and intestines. It is also useful in treating irritable bowel syndrome (IBS) and similar conditions. It can also be used to help relieve period pain. Alverine citrate is also under investigation to increase the cytotoxic effects of the proteasome inhibitor MG132 on breast cancer cells. |
| FDBD01442 | Fesoterodine |
|
Muscarinic Antagonists; Anti-Incontinence Agents; Antispasmodics; Muscle Relaxants, Genitourinary; Genito Urinary System and Sex Hormones; Drugs for Urinary Frequency and Incontinence; Urological Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of overactive bladder (with symptoms of urinary frequency, urgency, or urge incontinence). |
| FDBD01548 | Fingolimod |
|
Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Selective Immunosuppressants; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Fingolimod is a sphingosine 1-phosphate receptor modulator indicated for the treatment of patients with relapsing forms of multiple sclerosis to reduce the frequency of clinical exacerbations and to delay the accumulation of physical disability. |
| FDBD01555 | Gadoxetate |
|
Contrast Media; Diagnostic Agents; Paramagnetic Contrast Media; Magnetic Resonance Imaging Contrast Media; | Gadoxetate is used as a contrast medium for magnetic resonance imaging (MRI) to detect and characterize lesions in the liver. |
15 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ebi_ligand_3_36.mol2 | 3ebi | 1 | -7.32 | c1(ccccc1)CCC[NH3+] | 10 |
| 2qzl_ligand_3_251.mol2 | 2qzl | 1 | -7.17 | C([NH3+])CCc1ccccc1 | 10 |
| 2fdp_ligand_3_89.mol2 | 2fdp | 1 | -7.15 | C(C[NH3+])Cc1ccccc1 | 10 |
| 4jbs_ligand_3_0.mol2 | 4jbs | 1 | -6.99 | C([NH3+])CCc1ccccc1 | 10 |
| 1qiw_ligand_3_1.mol2 | 1qiw | 1 | -6.81 | [NH3+]CCCc1ccccc1 | 10 |
| 1tnk_ligand.mol2 | 1tnk | 1 | -6.65 | C(CCc1ccccc1)[NH3+] | 11 |
297 ,
30
