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Compound Detail

CHEMBL1795658

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COc1ccccc1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1795658
Phase Preclinical
Structure Type MOL
InChI Key YIOYNDAZSSZROK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
1.86
ALogP
7
HBA
1
HBD
101.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N4O4S
MW 404.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.61

Pharmacokinetic Data

Parameter Value Units Species
T1/2 7.233 hr -

Literature References

PubMed DOI Target Context # Activities
21507639 10.1016/j.bmcl.2011.03.097 MDCK 3
21507639 10.1016/j.bmcl.2011.03.097 Trypanosoma brucei brucei 2
21507639 10.1016/j.bmcl.2011.03.097 ADMET 1

Data from ChEMBL 36 via Core Engine