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Compound Detail

CHEMBL2152766

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CC(C)(C)OC(=O)N1C[C@H](CCl)c2c1cc1c3c(cccc23)NC(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2152766
Phase Preclinical
Structure Type MOL
InChI Key IODGVXVKMRAHHB-JTQLQIEISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.8
MW (Da)
4.84
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19ClN2O4
MW 374.82
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.02

Activity Summary

IC50 1 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 5.24 5.24 5800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 5800.0 nM 5.24 Cytotoxicity against mouse L1210 cells 22650244

Literature References

PubMed DOI Target Context # Activities
22650244 10.1021/jm300330b L1210 1

Data from ChEMBL 36 via Core Engine