ID: ALA1909428

Max Phase: Preclinical

Molecular Formula: C6H5ClHgO3S

Molecular Weight: 393.21

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: 393.21

Molecular Weight (Monoisotopic): 393.9354

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. Banks RB, Smith TJ, Hanna PE..  (1983)  N-arylhydroxamic acid N,O-acyltransferase. Positional requirements for the substrate hydroxyl group.,  26  (12): [PMID:6644748] [10.1021/jm00366a026]

2. Bröer S, Bröer A, Schneider HP, Stegen C, Halestrap AP, Deitmer JW..  (1999)  Characterization of the high-affinity monocarboxylate transporter MCT2 in Xenopus laevis oocytes.,  341  (1): [PMID:10417314] [10.1042/0264-6021:3410529]

3. Bröer S, Rahman B, Pellegri G, Pellerin L, Martin JL, Verleysdonk S, Hamprecht B, Magistretti PJ..  (1997)  Comparison of lactate transport in astroglial cells and monocarboxylate transporter 1 (MCT 1) expressing Xenopus laevis oocytes. Expression of two different monocarboxylate transporters in astroglial cells and neurons.,  272  (1): [PMID:9374487] [10.1074/jbc.272.48.30096]

4. Manning Fox JE, Meredith D, Halestrap AP..  (2000)  Characterisation of human monocarboxylate transporter 4 substantiates its role in lactic acid efflux from skeletal muscle.,  529  (1): [PMID:11101640] [10.1111/j.1469-7793.2000.00285.x]

5. Huang KW, Hsu KC, Chu LY, Yang JM, Yuan HS, Hsiao YY..  (2016)  Identification of Inhibitors for the DEDDh Family of Exonucleases and a Unique Inhibition Mechanism by Crystal Structure Analysis of CRN-4 Bound with 2-Morpholin-4-ylethanesulfonate (MES).,  59  (17): [PMID:27529560] [10.1021/acs.jmedchem.6b00794]

Source

Source(2):

• Scientific Literature
• TP-search Transporter Database