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Compound Detail

CHEMBL1190509

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Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)/C=C/c4ccc([S+]([O-])CCCl)cc4)cn3C)cn2C)cc1C(=O)NCCC(=N)N

Basic Information

ChEMBL ID CHEMBL1190509
Phase Preclinical
Structure Type MOL
InChI Key HWJWHGCBOPRDIX-RMKNXTFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

694.2
MW (Da)
3.26
ALogP
9
HBA
6
HBD
204.1
PSA (Ų)
0.04
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H36ClN9O5S
MW 694.22
Aromatic Rings 4
Heavy Atoms 48
NP-Likeness -0.37

Data from ChEMBL 36 via Core Engine