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Compound Detail

CHEMBL1171517

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CC(=O)O[C@H](C(=O)N1Cc2[nH]nc(NC(=O)c3cc4c(c(OCc5ccccc5)c3)OCO4)c2C1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1171517
Phase Preclinical
Structure Type MOL
InChI Key OTHUERYIDLCEEZ-SANMLTNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

554.6
MW (Da)
4.12
ALogP
8
HBA
2
HBD
132.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H26N4O7
MW 554.56
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
20621733 10.1016/j.bmcl.2010.04.083 HCT-116 1
20621733 10.1016/j.bmcl.2010.04.083 A549 1
20621733 10.1016/j.bmcl.2010.04.083 A2780 1

Data from ChEMBL 36 via Core Engine