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Compound Detail

CHEMBL4595871

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COc1cc(OC)c(-c2cn3ccc(N[C@H]4CC[C@H](CN5CCN(Cc6ccccc6)CC5)CC4)cc3n2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595871
Phase Preclinical
Structure Type MOL
InChI Key DWOPAOQWPNOARK-DIVCQZSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

574.2
MW (Da)
6.46
ALogP
7
HBA
1
HBD
54.3
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H40ClN5O2
MW 574.17
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.36

Data from ChEMBL 36 via Core Engine