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Compound Detail

CHEMBL5185256

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CCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cc(F)c(N3CCN(Cc4ccccc4)CC3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5185256
Phase Preclinical
Structure Type MOL
InChI Key BLGCRYOGDMPFOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

502.6
MW (Da)
4.87
ALogP
5
HBA
1
HBD
57.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28F2N4O2
MW 502.57
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.64

Literature References

PubMed DOI Target Context # Activities
35561631 10.1016/j.bmc.2022.116803 microRNA 21 1
35561631 10.1016/j.bmc.2022.116803 HeLa 1
35561631 10.1016/j.bmc.2022.116803 HCT-116 1

Data from ChEMBL 36 via Core Engine