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Compound Detail

CHEMBL355582

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CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL355582
Phase Preclinical
Structure Type MOL
InChI Key VCQZVCUSPDDPJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
2.72
ALogP
7
HBA
1
HBD
84.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27N3O4
MW 445.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.55

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00131-X DLD-1 1
- 10.1016/0960-894X(96)00131-X Caov-3 cell line 1
- 10.1016/0960-894X(96)00131-X KATO III stomach cancer cell line 1
- 10.1016/0960-894X(96)00131-X L1210 1
- 10.1016/0960-894X(96)00131-X A 172 1

Data from ChEMBL 36 via Core Engine