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Compound Detail

CHEMBL601852

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CCCCCCCCCCCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL601852
Phase Preclinical
Structure Type MOL
InChI Key RVTUXGMYFNKEOT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
7
Publications
0
Known Names

Molecular Properties

513.9
MW (Da)
8.52
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31Cl3N2O3
MW 513.89
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.16

Pharmacokinetic Data

Parameter Value Units Species
T1/2 43.0 hr -
T1/2 64.0 hr -

Literature References

PubMed DOI Target Context # Activities
20060303 10.1016/j.bmc.2009.12.055 Mycobacterium kansasii 4
20060303 10.1016/j.bmc.2009.12.055 Mycobacterium tuberculosis 2
20060303 10.1016/j.bmc.2009.12.055 Mycobacterium avium 2
21724391 10.1016/j.bmcl.2011.05.118 ADMET 2
21724391 10.1016/j.bmcl.2011.05.118 No relevant target 2
20060303 10.1016/j.bmc.2009.12.055 No relevant target 1
21724391 10.1016/j.bmcl.2011.05.118 Photosystem II protein D1 1

Data from ChEMBL 36 via Core Engine