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Compound Detail

CHEMBL4650912

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N=C(N)Nc1ccc(CNC(=O)[C@@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccc(OCc3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650912
Phase Preclinical
Structure Type MOL
InChI Key FXSHMTKMCOXZOG-DHUJRADRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

597.7
MW (Da)
5.95
ALogP
4
HBA
5
HBD
129.3
PSA (Ų)
0.09
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H35N5O3
MW 597.72
Aromatic Rings 5
Heavy Atoms 45
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine