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Compound Detail

CHEMBL3818748

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Cl.Cl.NCCc1cc(F)cc(C(=O)N2CCN(C(=O)c3cnc(O[C@H]4CCNC4)c(-c4ccc(F)cc4)c3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3818748
Phase Preclinical
Structure Type MOL
InChI Key GMGCHUFXNLAKOF-WLOLSGMKSA-N
Parent Compound CHEMBL3819736
Active Moiety CHEMBL3819736
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

535.6
MW (Da)
2.87
ALogP
6
HBA
2
HBD
100.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33Cl2F2N5O3
MW 608.52
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
27190602 10.1021/acsmedchemlett.5b00284 beta-catenin-B-cell lymphoma 9 protein complex 1

Data from ChEMBL 36 via Core Engine