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Compound Detail

CHEMBL1172499

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

Basic Information

ChEMBL ID CHEMBL1172499
Phase Preclinical
Structure Type MOL
InChI Key WUPSHWFDFPZOKC-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

526.5
MW (Da)
4.20
ALogP
7
HBA
2
HBD
115.0
PSA (Ų)
0.35
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 C29H26N4O6
MW 526.55
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.74

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