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Compound Detail

CHEMBL2408023

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CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN4CCCC4=O)c(O)ccc3nc2-1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2408023
Phase Preclinical
Structure Type MOL
InChI Key ZSCWSPHMLCNLQS-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
1.91
ALogP
8
HBA
2
HBD
122.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N3O6
MW 461.47
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.74

Literature References

PubMed DOI Target Context # Activities
24900725 10.1021/ml400125z Caco-2 2
24900725 10.1021/ml400125z MDA-MB-231 1
24900725 10.1021/ml400125z A549 1
24900725 10.1021/ml400125z PC-3 1
24900725 10.1021/ml400125z K562 1
24900725 10.1021/ml400125z MCF7 1
24900725 10.1021/ml400125z A2780 1
24900725 10.1021/ml400125z MOLT-4 1
24900725 10.1021/ml400125z HeLa 1

Data from ChEMBL 36 via Core Engine