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Compound Detail

CHEMBL4796475

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CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCC(=O)N4CCC(N(C)C)CC4)ccc3nc2-1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4796475
Phase Preclinical
Structure Type MOL
InChI Key QJZJJNYBODBCDI-LJAQVGFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

532.6
MW (Da)
2.01
ALogP
9
HBA
1
HBD
114.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32N4O6
MW 532.60
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
32650182 10.1016/j.ejmech.2020.112528 A549 1
32650182 10.1016/j.ejmech.2020.112528 HCT-116 1
32650182 10.1016/j.ejmech.2020.112528 LoVo 1
32650182 10.1016/j.ejmech.2020.112528 COLO 205 1
32650182 10.1016/j.ejmech.2020.112528 Raji 1
32650182 10.1016/j.ejmech.2020.112528 HeLa 1
32650182 10.1016/j.ejmech.2020.112528 NCI-H1975 1

Data from ChEMBL 36 via Core Engine