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Compound Detail

CHEMBL3926300

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CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3926300
Phase Preclinical
Structure Type MOL
InChI Key PVJUXYZCMZQLFY-MFHMDBKZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

939.9
MW (Da)
9.29
ALogP
10
HBA
2
HBD
183.5
PSA (Ų)
0.08
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H44Cl2N4O10S
MW 939.87
Aromatic Rings 6
Heavy Atoms 65
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