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Compound Detail

CHEMBL2408022

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CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN4C(=O)C=CC4=O)c(O)ccc3nc2-1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2408022
Phase Preclinical
Structure Type MOL
InChI Key ZDLBFTOUNOWBAI-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

473.4
MW (Da)
1.21
ALogP
9
HBA
2
HBD
139.0
PSA (Ų)
0.33
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 C25H19N3O7
MW 473.44
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.96

Literature References

PubMed DOI Target Context # Activities
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 MOLT-4 1
24900725 10.1021/ml400125z HeLa 1
24900725 10.1021/ml400125z A2780 1

Data from ChEMBL 36 via Core Engine