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Compound Detail

CHEMBL3901629

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Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCCCC(=O)NO)CC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3901629
Phase Preclinical
Structure Type MOL
InChI Key INQFRPJTGHFXGC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

573.1
MW (Da)
4.39
ALogP
10
HBA
4
HBD
135.6
PSA (Ų)
0.15
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33ClN8O3S
MW 573.12
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.98

Data from ChEMBL 36 via Core Engine