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Compound Detail

CHEMBL2219713

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c1ccc(C(c2ccccc2)[C@H]2CC[C@@H](NCc3csc4ccccc34)CN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219713
Phase Preclinical
Structure Type MOL
InChI Key MQKQGCHAZOYIHF-ILBGXUMGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
5.94
ALogP
3
HBA
2
HBD
24.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N2S
MW 412.60
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine