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Compound Detail

CHEMBL1917664

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CN(C)c1ccc(-c2nc(C(=O)N/N=C/C3CCCCC3)cc3c2[nH]c2ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1917664
Phase Preclinical
Structure Type MOL
InChI Key VCBHVOIBXSZBFV-OGLMXYFKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

439.6
MW (Da)
5.75
ALogP
4
HBA
2
HBD
73.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N5O
MW 439.56
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.75

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