ID: ALA604

Max Phase: Approved

First Approval: 1987

Molecular Formula: CuO4S

Molecular Weight: 159.61

Molecule Type: Small molecule

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: Yes

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: Yes

Availability: No

Prodrug: No

Properties

Molecular Weight: 159.61

Molecular Weight (Monoisotopic): 158.8813

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. de Zwart MA, Bastiaans HM, van der Goot H, Timmerman H..  (1991)  Synthesis and copper-dependent antimycoplasmal activity of amides and amidines derived from 2-amino-1,10-phenanthroline.,  34  (3): [PMID:2002460] [10.1021/jm00107a045]

2. Carter JP, Noronha-Blob L, Audia VH, Dupont AC, McPherson DW, Natalie KJ, Rzeszotarski WJ, Spagnuolo CJ, Waid PP, Kaiser C..  (1991)  Analogues of oxybutynin. Synthesis and antimuscarinic and bladder activity of some substituted 7-amino-1-hydroxy-5-heptyn-2-ones and related compounds.,  34  (10): [PMID:1920357] [10.1021/jm00114a016]

3. de Zwart MA, van der Goot H, Timmerman H..  (1989)  Synthesis and copper-dependent antimycoplasmal activity of 1-amino-3-(2-pyridyl)isoquinoline derivatives. 2. Amidines.,  32  (2): [PMID:2913309] [10.1021/jm00122a033]

4. de Zwart MA, van der Goot H, Timmerman H..  (1988)  Synthesis and copper-dependent antimycoplasmal activity of 1-amino-3-(2-pyridyl)isoquinoline derivatives. 1. Amides.,  31  (4): [PMID:3351847] [10.1021/jm00399a005]

5. Unpublished dataset, 

6. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, 

7. van der Wolf JM, Michta A, van der Zouwen PS, de Boer WJ, Davelaar E, Stevens LH..  (2012)  Seed and leaf treatments with natural compounds to induce resistance against Peronospora parasitica in Brassica oleracea,  35  [10.1016/j.cropro.2012.01.008]

8. WHO Anatomical Therapeutic Chemical Classification, 

9. Feng J, He H, Zhou Y, Guo X, Liu H, Cai M, Wang F, Feng L, He H..  (2019)  Design, synthesis and biological evaluation of novel inhibitors against cyanobacterial pyruvate dehydrogenase multienzyme complex E1.,  27  (12): [PMID:30692021] [10.1016/j.bmc.2019.01.021]

10. Weirath NA, Hurben AK, Chao C, Pujari SS, Cheng T, Liu S, Tretyakova NY..  (2022)  Small Molecule Inhibitors of TET Dioxygenases: Bobcat339 Activity Is Mediated by Contaminating Copper(II).,  13  (5.0): [PMID:35586434] [10.1021/acsmedchemlett.1c00677]

Source

Source(4):

• Scientific Literature
• FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book)
• USP Dictionary of USAN and International Drug Names
• WHO Anatomical Therapeutic Chemical Classification