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Compound Detail

CHEMBL3889939

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Cc1nc(NCCCCCCC(=O)NO)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3889939
Phase Preclinical
Structure Type MOL
InChI Key UHHSKEMLNIATAI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

518.0
MW (Da)
5.07
ALogP
9
HBA
5
HBD
141.2
PSA (Ų)
0.13
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28ClN7O3S
MW 518.04
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.61

Data from ChEMBL 36 via Core Engine