Drug ID: | NPD9015 |
Drug Name: | imeglimin |
Molecular Formula: | C6H13N5 |
Canonical SMILES: | N=C1N[C@@H](C)N=C(N1)N(C)C |
Standard InCHI: | InChI=1S/C6H13N5/c1-4-8-5(7)10-6(9-4)11(2)3/h4H,1-3H3,(H3,7,8,9,10)/t4-/m1/s1 |
Standard InCHIKey: | GFICWFZTBXUVIG-SCSAIBSYSA-N |
Max Developmental Stage: | Phase 2 |
Max Developmental Stage Source: | TTD |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
TTD | DIB006278 |
DrugBank | |
ChEMBL | |
IUPHAR/BPS | |
PharmaGKB | |
KEGG Drug | |
PubChem CID | |
ChEBI | |
CAS Number |
Molecular Weight | 155.12 |
ALogP | -0.3049 |
MLogP | 1.57 |
XLogP | 1.655 |
HDA | 5 |
HBD | 3 |
Rotatable Bonds | 4 |
TPSA | 63.51 |
RO5 Violation | 0 |