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Compound Detail

CHEMBL2365491

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N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCCN(CC3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1

Basic Information

ChEMBL ID CHEMBL2365491
Phase Preclinical
Structure Type MOL
InChI Key ZIDLTLIDVYHHIR-QPPIDDCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

822.0
MW (Da)
1.62
ALogP
9
HBA
7
HBD
218.9
PSA (Ų)
0.10
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H51N9O6S
MW 822.00
Aromatic Rings 4
Heavy Atoms 59
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine