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Compound Detail

CHEMBL197238

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COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL197238
Phase Preclinical
Structure Type MOL
InChI Key CHTXZFMNJNXIMG-LFIBNONCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
2.92
ALogP
3
HBA
1
HBD
62.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O2
MW 292.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
23176751 10.1016/j.bmc.2012.10.003 NON-PROTEIN TARGET 5
16302817 10.1021/jm040208l Dynamin-1 1
23176751 10.1016/j.bmc.2012.10.003 DU-145 1
23176751 10.1016/j.bmc.2012.10.003 A-431 1
23176751 10.1016/j.bmc.2012.10.003 A2780 1
23176751 10.1016/j.bmc.2012.10.003 MCF7 1
23176751 10.1016/j.bmc.2012.10.003 SW480 1
23176751 10.1016/j.bmc.2012.10.003 HT-29 1

Data from ChEMBL 36 via Core Engine