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Compound Detail

CHEMBL5499391

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COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3cc(C(=O)NCCOc4ccccc4)ccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499391
Phase Preclinical
Structure Type MOL
InChI Key LDRVNCNWVQMFPI-XIEYBQDHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

693.9
MW (Da)
7.77
ALogP
6
HBA
2
HBD
109.5
PSA (Ų)
0.11
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H43N5O4
MW 693.85
Aromatic Rings 5
Heavy Atoms 52
NP-Likeness -0.72

Data from ChEMBL 36 via Core Engine