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Compound Detail

CHEMBL2408024

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

Basic Information

ChEMBL ID CHEMBL2408024
Phase Preclinical
Structure Type MOL
InChI Key CMQRXHNJFXDJBW-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

435.4
MW (Da)
1.42
ALogP
8
HBA
3
HBD
130.8
PSA (Ų)
0.41
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 C23H21N3O6
MW 435.44
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.84

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