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Compound Detail

CHEMBL1170020

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CO[C@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc4c(c3)OCO4)c2C1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1170020
Phase Preclinical
Structure Type MOL
InChI Key DSAJRBGZRCUXMU-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
2.62
ALogP
6
HBA
2
HBD
105.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N4O5
MW 420.43
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.01

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