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Compound Detail

CHEMBL3916061

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O=C(N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H](Oc2ccc(-c3ccc(Cl)cc3)cc2)CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3916061
Phase Preclinical
Structure Type MOL
InChI Key GVCLPCAXKOVFPY-FMYROPPKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

762.5
MW (Da)
5.67
ALogP
8
HBA
3
HBD
156.7
PSA (Ų)
0.13
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 C32H27BrCl2N4O7S
MW 762.47
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness -0.89

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