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Compound Detail

CHEMBL143357

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CC(C)(C)CCCCCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1

Basic Information

ChEMBL ID CHEMBL143357
Phase Preclinical
Structure Type MOL
InChI Key HPWZLKOTRHSKTD-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

510.7
MW (Da)
5.92
ALogP
5
HBA
2
HBD
101.7
PSA (Ų)
0.32
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 C30H42N2O5
MW 510.68
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 0.18

Activity Summary

IC50 2 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 8.52 8.41 3.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81106-9 Homo sapiens 2

Data from ChEMBL 36 via Core Engine