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Compound Detail

CHEMBL195219

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COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)N(CCCl)CCCl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL195219
Phase Preclinical
Structure Type MOL
InChI Key DGPFERVXJQALKC-WAYWQWQTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

484.4
MW (Da)
5.17
ALogP
6
HBA
0
HBD
66.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27Cl2NO6
MW 484.38
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.08

Literature References

PubMed DOI Target Context # Activities
15943482 10.1021/jm0205797 P388 1
15943482 10.1021/jm0205797 BXPC-3 1
15943482 10.1021/jm0205797 SK-N-SH 1
15943482 10.1021/jm0205797 SW-1736 1
15943482 10.1021/jm0205797 NCI-H460 1
15943482 10.1021/jm0205797 DU-145 1
15943482 10.1021/jm0205797 FaDu 1
15943482 10.1021/jm0205797 Tubulin beta-1 chain 1

Data from ChEMBL 36 via Core Engine