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Compound Detail

CHEMBL536497

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COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCN1CCN(C)CC1.Cl.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL536497
Phase Preclinical
Structure Type MOL
InChI Key AAJFTHQJIYWEHX-AQTVDGORSA-N
Parent Compound CHEMBL1188469
Active Moiety CHEMBL1188469
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
3.52
ALogP
7
HBA
0
HBD
52.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36Cl2N2O5
MW 515.48
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.36

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