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Compound Detail

CHEMBL4597045

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CN(C)CCN1C(=O)c2ccc3c4c(c(NCCc5ccc(O)c(CN(C)C)c5)cc(c24)C1=O)C(=O)N(CCN(C)C)C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597045
Phase Preclinical
Structure Type MOL
InChI Key DQLUGSXDUZFKQS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

600.7
MW (Da)
2.58
ALogP
9
HBA
2
HBD
116.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H40N6O5
MW 600.72
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine