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Compound Detail

CHEMBL4596076

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N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN3CCN(CCC(=O)Nc4ccc(cc4)C[C@@H](NC(=O)CCCc4ccccc4)C(=O)N2)CC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596076
Phase Preclinical
Structure Type MOL
InChI Key DKSVNMZMDKUHTQ-IOLBBIBUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

814.0
MW (Da)
3.35
ALogP
8
HBA
7
HBD
201.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H55N9O5
MW 814.00
Aromatic Rings 4
Heavy Atoms 60
NP-Likeness -0.04

Data from ChEMBL 36 via Core Engine