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Compound Detail

CHEMBL6006083

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O=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc(OCCN2CC(O)C2)c(C2CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6006083
Phase Preclinical
Structure Type MOL
InChI Key RAUXQMINJFTTJU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
3.81
ALogP
5
HBA
1
HBD
62.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N2O4
MW 446.55
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.44

Activity Summary

Ki 1 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 9.05 9.05 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.9 nM 9.05 Radioligand Binding Assay: An in vitro binding assay was used to determine the c... -

Data from ChEMBL 36 via Core Engine