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Compound Detail

CHEMBL3944023

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Cc1ccc(-c2ccc(O[C@@H]3CN[C@H](C(=O)N[C@@H](Cc4ccc(Br)cc4)C(=O)NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)C3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3944023
Phase Preclinical
Structure Type MOL
InChI Key PIFODWARPUYMNE-NSGJQZOKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

742.0
MW (Da)
5.33
ALogP
8
HBA
3
HBD
156.7
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H30BrClN4O7S
MW 742.05
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
27810438 10.1016/j.bmc.2016.10.020 Induced myeloid leukemia cell differentiation protein Mcl-1 1

Data from ChEMBL 36 via Core Engine