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Compound Detail

CHEMBL3609302

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CC[C@@H]1C(=O)N(CC(C)C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3609302
Phase Preclinical
Structure Type MOL
InChI Key BUKYAUYZJGAKES-RUZDIDTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

563.8
MW (Da)
4.58
ALogP
8
HBA
2
HBD
102.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H45N7O3
MW 563.75
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
26191363 10.1021/acsmedchemlett.5b00084 Bromodomain-containing protein 4 1
26191363 10.1021/acsmedchemlett.5b00084 Serine/threonine-protein kinase PLK1 1
26191363 10.1021/acsmedchemlett.5b00084 MV4-11 1

Data from ChEMBL 36 via Core Engine