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Compound Detail

CHEMBL1193480

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CN(C)Cc1cc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3cc(CN(C)C)c(O)c(CN(C)C)c3)cc2)cc(CN(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193480
Phase Preclinical
Structure Type MOL
InChI Key HDGRMURIUMVBCK-WXUKJITCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

598.8
MW (Da)
5.14
ALogP
8
HBA
2
HBD
87.6
PSA (Ų)
0.20
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H46N4O4
MW 598.79
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -0.02

Data from ChEMBL 36 via Core Engine