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Compound Detail

CHEMBL348908

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O=C(NCCCl)Nc1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL348908
Phase Preclinical
Structure Type MOL
InChI Key QXVKGKHOEIZXQW-UHFFFAOYSA-N
0
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

248.7
MW (Da)
3.20
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13ClN2O
MW 248.71
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.50

Activity Summary

IC50 6 meas.

Literature References

PubMed DOI Target Context # Activities
11262080 10.1021/jm0010264 LoVo 1
11262080 10.1021/jm0010264 MDA-MB-231 1
11262080 10.1021/jm0010264 P388 1
11262080 10.1021/jm0010264 CHO 1
11262080 10.1021/jm0010264 K562 1
11262080 10.1021/jm0010264 L1210 1
11262080 10.1021/jm0010264 HT-29 1
18023585 10.1016/j.bmc.2007.11.004 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine