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Compound Detail

CHEMBL1276484

HYGROMYCIN
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CN[C@@H]1C[C@H](N)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@@H]23)O[C@H]([C@H](N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL1276484
Name HYGROMYCIN
Phase Preclinical
Structure Type MOL
InChI Key GRRNUXAQVGOGFE-CYWPNRNBSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

527.5
MW (Da)
-7.27
ALogP
16
HBA
11
HBD
272.1
PSA (Ų)
0.15
QED
3
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H37N3O13
MW 527.52
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 1.88

Activity Summary

IC50 2 meas. best 6.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.56 5.37 278.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12643896 10.1016/s0960-894x(03)00085-4 Unchecked 5
19581465 10.1128/aac.00590-09 Mycobacteroides chelonae 4
15177454 10.1016/j.bmcl.2004.04.055 Unchecked 3
15177454 10.1016/j.bmcl.2004.04.055 Telomerase reverse transcriptase 2
20421401 10.1128/aac.00400-10 Mycobacterium ulcerans 2
22541068 10.1021/jm300212s Solute carrier organic anion transporter family member 2B1 1
22541068 10.1021/jm300212s Solute carrier organic anion transporter family member 1B3 1
22541068 10.1021/jm300212s Solute carrier organic anion transporter family member 1B1 1

Data from ChEMBL 36 via Core Engine