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Compound Detail

CHEMBL3736200

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CC(C)C[C@H](NC(=O)[C@@H]1C[C@H](Oc2ccc(Br)cc2)CN1C(=O)OC(C)(C)C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3736200
Phase Preclinical
Structure Type MOL
InChI Key QPUHMVYDTFIOCF-BZSNNMDCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

499.4
MW (Da)
3.82
ALogP
5
HBA
2
HBD
105.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31BrN2O6
MW 499.40
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
26620718 10.1016/j.bmc.2015.11.014 Induced myeloid leukemia cell differentiation protein Mcl-1 1

Data from ChEMBL 36 via Core Engine