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Compound Detail

CHEMBL3139410

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O=C(O)[C@@H]1C[C@H]2C[C@@H](Sc3ccccc3-c3nnn[nH]3)CC[C@H]2CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139410
Phase Preclinical
Structure Type MOL
InChI Key WTNAROPMMOUJOB-OPDFLTKYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
2.19
ALogP
6
HBA
3
HBD
103.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N5O2S
MW 359.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.46

Data from ChEMBL 36 via Core Engine