Common name
pyrrolidine-1-carbaldehyde
IUPAC name
pyrrolidine-1-carbaldehyde
SMILES
C(=O)N1CCCC1
Common name
pyrrolidine-1-carbaldehyde
IUPAC name
pyrrolidine-1-carbaldehyde
SMILES
C(=O)N1CCCC1
INCHI
InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2
FORMULA
C5H9NO
Common name
pyrrolidine-1-carbaldehyde
IUPAC name
pyrrolidine-1-carbaldehyde
Molecular weight
99.131
clogP
0.849
clogS
-0.193
Frequency
0.0041
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
20.31
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00001 | Bivalirudin |
|
Antithrombins; Direct Thrombin Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; | For treatment of heparin-induced thrombocytopenia and for the prevention of thrombosis. |
| FDBD00003 | Desmopressin |
|
Antidiuretic Agents; Hemostatics; Renal Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Vasopressin and Analogues; Posterior Pituitary Lobe Hormones; | Oral formulations may be used to manage primary nocturnal enuresis in adults and vasopressin sensitive diabetes insipidus, and for control of temporary polyuria and polydipsia following head trauma or surgery in the pituitary region. Intranasal and parenteral formulations may be used to manage spontaneous or trauma-induced bleeds (e.g. hemarthrosis, intramuscular hematoma, mucosal bleeding) in patients with hemophilia A or von Willebrand's disease Type I. May also be used parenterally to prevent or treat bleeding in patients with uremia. |
| FDBD00004 | Cetrorelix |
|
Fertility Agents, Female; Hormone Antagonists; Fertility Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Anti-Gonadotropin-Releasing Hormones; Hypothalamic Hormones; | For the inhibition of premature LH surges in women undergoing controlled ovarian stimulation. |
| FDBD00006 | Felypressin |
|
Vasoconstrictor Agents; Renal Agents; | For use as an alternative to adrenaline as a localising agent, provided that local ischaemia is not essential. |
| FDBD00509 | Gonadorelin |
|
Diagnostic Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Hypothalamic Hormones; Gonadotropin-Releasing Hormones; Tests for Fertility Disturbances; | For evaluating the functional capacity and response of the gonadotropes of the anterior pituitary also for evaluating residual gonadotropic function of the pituitary following removal of a pituitary tumor by surgery and/or irradiation. |
| FDBD01114 | Carbetocin |
|
Oxytocics; Delayed-Action Preparations; Anti-tocolytic Agents; Labor Induction Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Posterior Pituitary Lobe Hormones; Oxytocin and Analogues; | Used to control postpartum hemorrhage and bleeding after giving birth. |
| FDBD01288 | Terlipressin |
|
Vasoconstrictor Agents; Antihypertensive Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Vasopressin and Analogues; Posterior Pituitary Lobe Hormones; | Commonly used to stop bleeding of varices in the food pipe (oesophagus). |
| FDBD01439 | Degarelix |
|
Gonadotropin-releasing hormone antagonist; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hormone Antagonists and Related Agents; | Degaralix is used for the management of advanced prostate cancer. |
| FDBD01682 | Daclatasvir |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Daklinza is used to treat patients who have chronic hepatitis C virus (HCV) genotype 3 infection. Daklinza is typically taken in conjunction with sofosbuvir. (2). |
| FDBD01769 | Lixisenatide |
|
Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; | For lowering blood glucose level in patients with type 2 diabetes. |
12 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ddu_ligand_frag_1.mol2 | 3ddu | 1 | -6.35 | C(=O)N1CCCC1 | 7 |
| 4bcd_ligand_frag_7.mol2 | 4bcd | 1 | -6.34 | C(=O)N1CCCC1 | 7 |
| 2rip_ligand_frag_1.mol2 | 2rip | 1 | -6.33 | C(=O)N1CCCC1 | 7 |
| 3eq7_ligand_frag_4.mol2 | 3eq7 | 1 | -6.33 | C(=O)N1CCCC1 | 7 |
| 3eq9_ligand_frag_7.mol2 | 3eq9 | 1 | -6.30 | C(=O)N1CCCC1 | 7 |
| 4jlg_ligand_frag_4.mol2 | 4jlg | 1 | -6.26 | C(=O)N1CCCC1 | 7 |
| 2ajd_ligand_frag_1.mol2 | 2ajd | 1 | -6.25 | C(=O)N1CCCC1 | 7 |
| 3eq8_ligand_frag_5.mol2 | 3eq8 | 1 | -6.25 | C(=O)N1CCCC1 | 7 |
| 2g5t_ligand_frag_0.mol2 | 2g5t | 1 | -6.22 | C(=O)N1CCCC1 | 7 |
329 ,
33
