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Compound Detail

CHEMBL149572

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COC(=O)Nc1nc2cc(C(=O)OCCC(C)CC(C)(C)C)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149572
Phase Preclinical
Structure Type MOL
InChI Key XIBHZGZYJAVFGH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
4.36
ALogP
5
HBA
2
HBD
93.3
PSA (Ų)
0.75
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 C19H27N3O4
MW 361.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.61

Activity Summary

IC50 1 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 6.13 6.13 740.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 740.0 nM 6.13 In vitro for its inhibitory activity against L1210 murine leukemia cell growth 1738146

Literature References

PubMed DOI Target Context # Activities
1738146 10.1021/jm00081a016 L1210 2
1738146 10.1021/jm00081a016 Brugia pahangi 1

Data from ChEMBL 36 via Core Engine