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Compound Detail

CHEMBL275952

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COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@](C)(O)C#Cc3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL275952
Phase Preclinical
Structure Type MOL
InChI Key ZXAJDPZZIZWYET-MAGIDRPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

604.7
MW (Da)
2.86
ALogP
8
HBA
3
HBD
140.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H40N2O8
MW 604.70
Aromatic Rings 2
Heavy Atoms 44
NP-Likeness 1.25

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00182-5 KB 2
- 10.1016/0960-894X(96)00182-5 B16-F10 1
- 10.1016/0960-894X(96)00182-5 DA-3 cell line 1
- 10.1016/0960-894X(96)00182-5 HT-29 1

Data from ChEMBL 36 via Core Engine