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Compound Detail

CHEMBL4596786

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COc1ccc(Cl)cc1S(=O)(=O)N1CCC(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596786
Phase Preclinical
Structure Type MOL
InChI Key FYNUEVUBDBJPAA-ZEQRLZLVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

736.3
MW (Da)
3.88
ALogP
10
HBA
5
HBD
205.9
PSA (Ų)
0.07
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H42ClN7O7S2
MW 736.32
Aromatic Rings 3
Heavy Atoms 49
NP-Likeness -1.00

Data from ChEMBL 36 via Core Engine