ID: ALA491517

Max Phase: Preclinical

Molecular Formula: C4H6MnN2S4

Molecular Weight: 265.31

Molecule Type: Small molecule

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 265.31

Molecular Weight (Monoisotopic): 264.8794

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. Mukhopadhyay T, Nadkarni SR, Bhat RG, Gupte SV, Ganguli BN, Petry S, Kogler H..  (1999)  Mathemycin B, a new antifungal macrolactone from actinomycete species HIL Y-8620959.,  62  (6): [PMID:10395510] [10.1021/np980369q]

2. PubChem BioAssay data set, 

3. PubChem BioAssay data set, 

4. Rafin C, Veignie E, Sancholle M, Postel D, Len C, Villa P, Ronco G..  (2000)  Synthesis and antifungal activity of novel bisdithiocarbamate derivatives of carbohydrates against Fusarium oxysporum f. sp. lini.,  48  (11): [PMID:11087473] [10.1021/jf0003698]

5. Kagabu S, Shimizu M, Mori M, Kurahashi Y, Yamaguchi I.  (2009)  N-Thiophenylethyl-2,2-dichloro-1-cyclopropanecarboxamides: modification of the amide part of carpropamid and examination of fungicidal activity,  34  (3): [10.1584/jpestics.G09-12]

6. PubChem BioAssay data set, 

Source

Source(2):

• Scientific Literature
• PubChem BioAssays