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Compound Detail

CHEMBL1917839

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Cn1c2ccccc2c2cc(C(=O)N/N=C/c3ccccc3Cl)nc(-c3ccccc3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1917839
Phase Preclinical
Structure Type MOL
InChI Key YXCLQGCTIUASPZ-LQKURTRISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

438.9
MW (Da)
5.81
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H19ClN4O
MW 438.92
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
21944971 10.1016/j.bmc.2011.08.059 MCF7 1
21944971 10.1016/j.bmc.2011.08.059 UACC-62 1
21944971 10.1016/j.bmc.2011.08.059 NON-PROTEIN TARGET 1
21944971 10.1016/j.bmc.2011.08.059 OVCAR 1
21944971 10.1016/j.bmc.2011.08.059 K562 1
21944971 10.1016/j.bmc.2011.08.059 NCI-H460 1
21944971 10.1016/j.bmc.2011.08.059 HT-29 1
21944971 10.1016/j.bmc.2011.08.059 786-0 1

Data from ChEMBL 36 via Core Engine