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Compound Detail

CHEMBL150511

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COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)C(N)Cc1c[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL150511
Phase Preclinical
Structure Type MOL
InChI Key RLFZBFAFJOTOBU-FPLPWBNLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

485.5
MW (Da)
4.59
ALogP
6
HBA
3
HBD
107.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27N3O5
MW 485.54
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
12570374 10.1021/jm020204l Unchecked 5
12570374 10.1021/jm020204l MCF7 3
12570374 10.1021/jm020204l P388 1
12570374 10.1021/jm020204l Tubulin alpha chain 1

Data from ChEMBL 36 via Core Engine