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Compound Detail

CHEMBL1187002

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COc1cc2c(cc1OC)CC(CC1CCN(CCCNc3c4c(nc5ccccc35)CCCC4)CC1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187002
Phase Preclinical
Structure Type MOL
InChI Key QCWIFUIODMJCQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

513.7
MW (Da)
6.45
ALogP
5
HBA
1
HBD
46.6
PSA (Ų)
0.33
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H43N3O2
MW 513.73
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine