Common name
piperazine-1-carbaldehyde
IUPAC name
piperazine-1-carbaldehyde
SMILES
O=CN1CCNCC1
Common name
piperazine-1-carbaldehyde
IUPAC name
piperazine-1-carbaldehyde
SMILES
O=CN1CCNCC1
INCHI
InChI=1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2
FORMULA
C5H10N2O
Common name
piperazine-1-carbaldehyde
IUPAC name
piperazine-1-carbaldehyde
Molecular weight
114.146
clogP
0.256
clogS
-0.269
Frequency
0.0014
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
32.34
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00332 | Prazosin |
|
Antihypertensive Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Cardiovascular System; Antiadrenergic Agents, Peripherally Acting; Alpha-Adrenoreceptor Antagonists and Diuretics; | For treatment of hypertension, symptomatic benign prostatic hyperplasia, and severe congestive heart failure. May also be used alone or in combination with β-blockers in the preoperative management of signs and symptoms of pheochromocytoma. |
| FDBD00455 | Doxazosin |
|
Antihypertensive Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Cardiovascular System; Antiadrenergic Agents, Peripherally Acting; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For treatment and management of mild to moderate hypertension and urinary obstruction symptoms caused by BPH. |
| FDBD00569 | Delavirdine |
|
Anti-HIV Agents; Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Non-Nucleoside Reverse Transcriptase Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of HIV-1 infection in combination with appropriate antiretroviral agents when therapy is warranted. |
| FDBD01009 | Terazosin |
|
Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Drugs Used in Benign Prostatic Hypertrophy; Urological Agents; | For the treatment of symptomatic BPH and mild to moderate hypertension. |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tkg_ligand_frag_1.mol2 | 4tkg | 1 | -6.30 | C(=O)N1CCN(CC1)C=O | 10 |
| 1w7g_ligand_2_40.mol2 | 1w7g | 1 | -6.14 | CC[NH+]1CCN(C=O)CC1 | 10 |
| 4qtb_ligand_frag_5.mol2 | 4qtb | 1 | -5.93 | C(=O)N1CC[NH2+]CC1 | 8 |
| 4qta_ligand_frag_5.mol2 | 4qta | 1 | -5.91 | C(=O)N1CC[NH2+]CC1 | 8 |
| 4qyy_ligand_frag_0.mol2 | 4qyy | 1 | -5.91 | N1(CC[NH2+]CC1)C=O | 8 |
| 4hbp_ligand_frag_0.mol2 | 4hbp | 1 | -5.88 | C(=O)N1CC[NH2+]CC1 | 8 |
100 ,
11
