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Compound Detail

CHEMBL4204583

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CC1(C)CCC(c2ccc(Cl)cc2)=C(CNC2(Cn3cnc4ccc(C(=O)NS(=O)(=O)c5ccc(N[C@H](CCN6CCOCC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc43)CC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4204583
Phase Preclinical
Structure Type MOL
InChI Key KJTRVMBNISXGQL-DIPNUNPCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

999.6
MW (Da)
9.18
ALogP
12
HBA
3
HBD
151.7
PSA (Ų)
0.07
QED
3
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H54ClF3N6O6S3
MW 999.64
Aromatic Rings 5
Heavy Atoms 67
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
29229225 10.1016/j.bmc.2017.12.001 Apoptosis regulator Bcl-2 1
29229225 10.1016/j.bmc.2017.12.001 Bcl-2-like protein 1 1

Data from ChEMBL 36 via Core Engine