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Compound Detail

CHEMBL535601

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COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCN(C)C.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL535601
Phase Preclinical
Structure Type MOL
InChI Key OZQFNXBRJHVWPW-CFYXSCKTSA-N
Parent Compound CHEMBL1188197
Active Moiety CHEMBL1188197
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

387.5
MW (Da)
3.83
ALogP
6
HBA
0
HBD
49.4
PSA (Ų)
0.58
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 C22H30ClNO5
MW 423.94
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.10

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