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Compound Detail

CHEMBL4748272

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

Basic Information

ChEMBL ID CHEMBL4748272
Phase Preclinical
Structure Type MOL
InChI Key MPBJALLESYPLAF-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

506.6
MW (Da)
1.48
ALogP
9
HBA
1
HBD
114.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N4O6
MW 506.56
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 0.10

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