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Compound Detail

CHEMBL163921

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CNC(=O)Nc1ccc(C(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL163921
Phase Preclinical
Structure Type MOL
InChI Key DOULWWSSZVEPIN-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

192.3
MW (Da)
2.56
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N2O
MW 192.26
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.42

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
11262080 10.1021/jm0010264 MDA-MB-231 1
11262080 10.1021/jm0010264 K562 1
11262080 10.1021/jm0010264 L1210 1
11262080 10.1021/jm0010264 CHO 1
11262080 10.1021/jm0010264 HT-29 1
18023585 10.1016/j.bmc.2007.11.004 HT-29 1

Data from ChEMBL 36 via Core Engine