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Compound Detail

CHEMBL281673

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COc1cc2c(cc1OC)N(C(=O)OCCSc1ccccc1)[C@@H](O)[C@@H]1CCCN1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL281673
Phase Preclinical
Structure Type MOL
InChI Key IFMJVNWCJVRDLM-JTSKRJEESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
3.38
ALogP
7
HBA
1
HBD
88.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2O6S
MW 458.54
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
11992788 10.1016/s0960-894x(02)00150-6 A2780 2
11992788 10.1016/s0960-894x(02)00150-6 CH1 2
11992788 10.1016/s0960-894x(02)00150-6 NON-PROTEIN TARGET 2
11992788 10.1016/s0960-894x(02)00150-6 SK-OV-3 1

Data from ChEMBL 36 via Core Engine