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Compound Detail

CHEMBL5499395

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NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccc(C(=O)NCC(c3ccccc3)c3ccccc3)cc2N(Cc2ccc(-c3ccccc3)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499395
Phase Preclinical
Structure Type MOL
InChI Key BHAZLVNSMYFHDF-QUPMIFSKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

739.9
MW (Da)
9.22
ALogP
5
HBA
3
HBD
111.3
PSA (Ų)
0.10
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H45N5O3
MW 739.92
Aromatic Rings 6
Heavy Atoms 56
NP-Likeness -0.46

Data from ChEMBL 36 via Core Engine