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Compound Detail

CHEMBL314314

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CCCCCCCCCCCCCCC(CN(CC(=O)OCC)CC(=O)OCC)NC(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL314314
Phase Preclinical
Structure Type MOL
InChI Key CMKWGSOMGRATLF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

528.8
MW (Da)
6.40
ALogP
7
HBA
1
HBD
94.2
PSA (Ų)
0.10
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H56N2O6
MW 528.78
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
11844694 10.1016/s0960-894x(01)00837-x Leishmania amazonensis 4
11844694 10.1016/s0960-894x(01)00837-x Leishmania braziliensis 4
11844694 10.1016/s0960-894x(01)00837-x Leishmania donovani 4
19703769 10.1016/j.bmcl.2009.07.147 Mycobacterium tuberculosis 4
12182874 10.1016/s0960-894x(02)00476-6 Jurkat 1

Data from ChEMBL 36 via Core Engine