Common name
pyrrol-2-one
IUPAC name
pyrrol-2-one
SMILES
O=C1N=CC=C1
Common name
pyrrol-2-one
IUPAC name
pyrrol-2-one
SMILES
O=C1N=CC=C1
INCHI
InChI=1S/C4H3NO/c6-4-2-1-3-5-4/h1-3H
FORMULA
C4H3NO
Common name
pyrrol-2-one
IUPAC name
pyrrol-2-one
Molecular weight
81.073
clogP
1.373
clogS
-0.107
Frequency
0.0021
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
29.43
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00002 | Goserelin |
|
Antineoplastic Agents, Hormonal; Antineoplastic and Immunomodulating Agents; Gonadotropin Releasing Hormone Analogues; Hormones and Related Agents; Endocrine Therapy; | Used to treat hormone-sensitive cancers of the breast (in pre- and peri- menopausal women) and prostate, and some benign gynaecological disorders (endometriosis, uterine fibroids and endometrial thinning). In addition, goserelin is used in assisted reproduction and in the treatment of precocious puberty. |
| FDBD00283 | Ceruletide |
|
Diagnostic Agents; Tests for Bile Duct Patency; | Caerulein stimulates gastric, biliary, and pancreatic secretion; and certain smooth muscle. As such, it is used in paralytic ileus and as diagnostic aid in pancreatic malfunction. |
| 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. |
| FDBD00531 | Nafarelin |
|
Fertility Agents, Female; Antiendometriotic agent; Gonadotropin-releasing hormone agonist; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Hypothalamic Hormones; Gonadotropin-Releasing Hormones; | For treatment of central precocious puberty (true precocious puberty, GnRH-dependent precocious precocity, complete isosexual precocity) in children of both sexes and for the treatment of endometriosis. |
| FDBD01484 | Histrelin |
|
Histrelin acetate has two indications | |
| FDBD01507 | Triptorelin |
|
Antineoplastic Agents, Hormonal; Luteolytic Agents; Antineoplastic and Immunomodulating Agents; Gonadotropin Releasing Hormone Analogues; Hormones and Related Agents; Endocrine Therapy; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Hypothalamic Hormones; Gonadotropin-Releasing Hormones; | Triptorelin is indicated for the palliative treatment of advanced prostate cancer. |
6 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4xbb_ligand_frag_5.mol2 | 4xbb | 1 | -5.82 | C1=CC=NC1=O | 6 |
| 4f49_ligand_frag_10.mol2 | 4f49 | 1 | -5.75 | C1=CC=NC1=O | 6 |
| 2wf0_ligand_frag_8.mol2 | 2wf0 | 1 | -5.59 | C1=CC(=O)N=C1 | 6 |
| 2vj6_ligand_frag_12.mol2 | 2vj6 | 1 | -5.58 | N1=CC=CC1=O | 6 |
| 2wez_ligand_frag_8.mol2 | 2wez | 1 | -5.58 | C1=CC(=O)N=C1 | 6 |
| 2viz_ligand_frag_13.mol2 | 2viz | 1 | -5.57 | N1=CC=CC1=O | 6 |
| 2xfj_ligand_frag_12.mol2 | 2xfj | 1 | -5.57 | N1=CC=CC1=O | 6 |
| 1q9m_ligand_frag_1.mol2 | 1q9m | 1 | -5.47 | C1=CC(=O)N=C1 | 6 |
| 1oyn_ligand_frag_1.mol2 | 1oyn | 1 | -5.46 | C1=CC(=O)N=C1 | 6 |
101 ,
11
