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Compound Detail

CHEMBL4753367

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CCN(CC)CCNC(=O)COc1ccc2nc3c(cc2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4753367
Phase Preclinical
Structure Type MOL
InChI Key SRMWXMXGEWJACB-NDEPHWFRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

520.6
MW (Da)
1.92
ALogP
9
HBA
2
HBD
123.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32N4O6
MW 520.59
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.05

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