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Compound Detail

CHEMBL5757878

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CC1(O)CN(CCOc2ccc(N3CC=C(Oc4ccc(C5CC5)cc4)C3=O)cc2Br)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5757878
Phase Preclinical
Structure Type MOL
InChI Key MEHNWGNZCUGNJX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

499.4
MW (Da)
4.08
ALogP
5
HBA
1
HBD
62.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27BrN2O4
MW 499.41
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.29

Activity Summary

Ki 1 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.6 nM 9.22 Radioligand Binding Assay: An in vitro binding assay was used to determine the c... -

Data from ChEMBL 36 via Core Engine