Details of the Drug

General Information of Drug (ID: DMV40XH)

Drug Name

leualacin

Synonyms

128140-12-5

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

573.7

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

18

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C31H47N3O7
IUPAC Name: (2S)-N-[(4S,6S)-4-amino-7-(3-aminopropanoyl)-6-formyl-9-hydroxy-2,11-dimethyl-5,8-dioxo-7-phenyldodecan-6-yl]-2-hydroxy-N,4-dimethylpent-4-enamide
Canonical SMILES: CC(C)C[C@@H](C(=O)[C@@](C=O)(C(C1=CC=CC=C1)(C(=O)CCN)C(=O)C(CC(C)C)O)N(C)C(=O)[C@H](CC(=C)C)O)N
InChI: InChI=1S/C31H47N3O7/c1-19(2)15-23(33)27(39)30(18-35,34(7)29(41)25(37)17-21(5)6)31(26(38)13-14-32,22-11-9-8-10-12-22)28(40)24(36)16-20(3)4/h8-12,18-20,23-25,36-37H,5,13-17,32-33H2,1-4,6-7H3/t23-,24?,25-,30-,31?/m0/s1
InChIKey: ZPYMSTAWPQJBRU-DJQJIUKYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Modulator	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Leualacin, a novel calcium blocker from Hapsidospora irregularis. I. Taxonomy, fermentation, isolation, physico-chemical and biological properties. J Antibiot (Tokyo). 1992 Jun;45(6):899-905.